9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C205H365N11S — CID 162102666

IUPAC9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cccc34)cc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1
InChIInChI=1S/C45H32.C43H27N5.C42H26N4.C40H26.C35H22N2S.116H2/c1-45(2)43-20-8-7-15-40(43)41-26-25-32(28-44(41)45)35-17-10-18-37-33(16-9-19-38(35)37)29-21-23-30(24-22-29)42-27-31-11-3-4-12-34(31)36-13-5-6-14-39(36)42;1-4-16-28(17-5-1)41-44-42(29-18-6-2-7-19-29)46-43(45-41)48-36-27-15-13-25-34(36)38-32-23-11-10-22-31(32)37-33-24-12-14-26-35(33)47(39(37)40(38)48)30-20-8-3-9-21-30;1-3-14-28(15-4-1)39-33-20-9-11-21-35(33)43-42(44-39)46-37-26-23-27-13-7-8-18-30(27)38(37)34-25-24-32-31-19-10-12-22-36(31)45(40(32)41(34)46)29-16-5-2-6-17-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-3-11-23(12-4-1)25-21-30(24-13-5-2-6-14-24)36-33(22-25)37-31-17-9-7-15-26(31)28-19-20-29-27-16-8-10-18-32(27)38-35(29)34(28)37;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-28H,1-2H3;1-27H;1-26H;1-26H;1-22H;116*1H
InChIKeyZFCBRERONQSUDX-UHFFFAOYSA-N
MW3016.32 g/mol
LogP83.37
Rot. Bonds16

About 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 162102666) has the molecular formula C205H365N11S and a molecular weight of 3016.32 g/mol. Its IUPAC name is 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID162102666
Molecular FormulaC205H365N11S
Molecular Weight3016.32 g/mol
Exact Mass3013.86
IUPAC Name9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cccc34)cc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1
InChIInChI=1S/C45H32.C43H27N5.C42H26N4.C40H26.C35H22N2S.116H2/c1-45(2)43-20-8-7-15-40(43)41-26-25-32(28-44(41)45)35-17-10-18-37-33(16-9-19-38(35)37)29-21-23-30(24-22-29)42-27-31-11-3-4-12-34(31)36-13-5-6-14-39(36)42;1-4-16-28(17-5-1)41-44-42(29-18-6-2-7-19-29)46-43(45-41)48-36-27-15-13-25-34(36)38-32-23-11-10-22-31(32)37-33-24-12-14-26-35(33)47(39(37)40(38)48)30-20-8-3-9-21-30;1-3-14-28(15-4-1)39-33-20-9-11-21-35(33)43-42(44-39)46-37-26-23-27-13-7-8-18-30(27)38(37)34-25-24-32-31-19-10-12-22-36(31)45(40(32)41(34)46)29-16-5-2-6-17-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-3-11-23(12-4-1)25-21-30(24-13-5-2-6-14-24)36-33(22-25)37-31-17-9-7-15-26(31)28-19-20-29-27-16-8-10-18-32(27)38-35(29)34(28)37;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-28H,1-2H3;1-27H;1-26H;1-26H;1-22H;116*1H
InChIKeyZFCBRERONQSUDX-UHFFFAOYSA-N
XLogP83.37
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003016.32
LogP ≤ 583.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 157145642
5-[9-(4-dibenzothiophen-4-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 157365612
5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 159749982
7-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[c]carbazole;3-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158126193
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole
CID 158833817
2-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 159438708
2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 131979694
4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 158261971
19-[4,6-bis(3-fluorophenyl)-1,3,5-triazin-2-yl]-12-thia-19-azaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.020,25]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),20,22,24,27-tridecaene;19-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-12-thia-19-azaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.020,25]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),20,22,24,27-tridecaene;19-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-12-thia-19-azaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.020,25]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),20,22,24,27-tridecaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-25-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.019,24]octacosa-1(17),2,4(12),6,8,10,13,15,18(26),19,21,23,27-tridecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-19-azaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.020,25]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),20,22,24,27-tridecaene
CID 159756363
6-[4-[4-[5-[19,19-dimethyl-9-[3-(3-phenylphenyl)phenyl]-7-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-11-phenylindolo[2,3-a]carbazol-12-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 135254959
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-19-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene;9-naphthalen-2-yl-19-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene;9-[4-(3-phenylphenyl)quinazolin-2-yl]-19-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene;9-phenyl-19-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 159078525
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;methane;3-(4-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 163933699

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 162102666) is 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is CC1(C)c2ccccc2-c2ccc(-c3cccc4c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cccc34)cc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.
What is the InChIKey of 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is ZFCBRERONQSUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32.C43H27N5.C42H26N4.C40H26.C35H22N2S.116H2/c1-45(2)43-20-8-7-15-40(43)41-26-25-32(28-44(41)45)35-17-10-18-37-33(16-9-19-38(35)37)29-21-23-30(24-22-29)42-27-31-11-3-4-12-34(31)36-13-5-6-14-39(36)42;1-4-16-28(17-5-1)41-44-42(29-18-6-2-7-19-29)46-43(45-41)48-36-27-15-13-25-34(36)38-32-23-11-10-22-31(32)37-33-24-12-14-26-35(33)47(39(37)40(38)48)30-20-8-3-9-21-30;1-3-14-28(15-4-1)39-33-20-9-11-21-35(33)43-42(44-39)46-37-26-23-27-13-7-8-18-30(27)38(37)34-25-24-32-31-19-10-12-22-36(31)45(40(32)41(34)46)29-16-5-2-6-17-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-3-11-23(12-4-1)25-21-30(24-13-5-2-6-14-24)36-33(22-25)37-31-17-9-7-15-26(31)28-19-20-29-27-16-8-10-18-32(27)38-35(29)34(28)37;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-28H,1-2H3;1-27H;1-26H;1-26H;1-22H;116*1H.
What are the key properties of 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 3016.32 g/mol, XLogP of 83.37, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 162102666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).