3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene

C190H141N3S — CID 160959769

IUPAC3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C(c1ccccc1)(c1ccccc1)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c3c21.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5n(-c5ccccn5)c4c3c21.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5sc4c3c21
InChIInChI=1S/C38H26.C38H28.C31H23N.C30H22N2.C28H24.C25H18S/c1-37(2)30-15-7-3-13-26(30)28-21-19-23-20-22-29-27-14-6-10-18-33(27)38(36(29)34(23)35(28)37)31-16-8-4-11-24(31)25-12-5-9-17-32(25)38;1-37(2)32-19-11-9-17-28(32)30-23-21-25-22-24-31-29-18-10-12-20-33(29)38(26-13-5-3-6-14-26,27-15-7-4-8-16-27)36(31)34(25)35(30)37;1-31(2)26-14-8-6-12-22(26)24-18-16-20-17-19-25-23-13-7-9-15-27(23)32(21-10-4-3-5-11-21)30(25)28(20)29(24)31;1-30(2)24-11-5-3-9-20(24)22-16-14-19-15-17-23-21-10-4-6-12-25(21)32(26-13-7-8-18-31-26)29(23)27(19)28(22)30;1-27(2)22-11-7-5-9-18(22)20-15-13-17-14-16-21-19-10-6-8-12-23(19)28(3,4)26(21)24(17)25(20)27;1-25(2)20-9-5-3-7-16(20)18-13-11-15-12-14-19-17-8-4-6-10-21(17)26-24(19)22(15)23(18)25/h3-22H,1-2H3;3-24H,1-2H3;3-19H,1-2H3;3-18H,1-2H3;5-16H,1-4H3;3-14H,1-2H3
InChIKeySWWBPNZKZINPCN-UHFFFAOYSA-N
MW2498.31 g/mol
LogP49.85
Rot. Bonds4

About 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene

3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene (PubChem CID 160959769) has the molecular formula C190H141N3S and a molecular weight of 2498.31 g/mol. Its IUPAC name is 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
PubChem CID160959769
Molecular FormulaC190H141N3S
Molecular Weight2498.31 g/mol
Exact Mass2496.08
IUPAC Name3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C(c1ccccc1)(c1ccccc1)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c3c21.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5n(-c5ccccn5)c4c3c21.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5sc4c3c21
InChIInChI=1S/C38H26.C38H28.C31H23N.C30H22N2.C28H24.C25H18S/c1-37(2)30-15-7-3-13-26(30)28-21-19-23-20-22-29-27-14-6-10-18-33(27)38(36(29)34(23)35(28)37)31-16-8-4-11-24(31)25-12-5-9-17-32(25)38;1-37(2)32-19-11-9-17-28(32)30-23-21-25-22-24-31-29-18-10-12-20-33(29)38(26-13-5-3-6-14-26,27-15-7-4-8-16-27)36(31)34(25)35(30)37;1-31(2)26-14-8-6-12-22(26)24-18-16-20-17-19-25-23-13-7-9-15-27(23)32(21-10-4-3-5-11-21)30(25)28(20)29(24)31;1-30(2)24-11-5-3-9-20(24)22-16-14-19-15-17-23-21-10-4-6-12-25(21)32(26-13-7-8-18-31-26)29(23)27(19)28(22)30;1-27(2)22-11-7-5-9-18(22)20-15-13-17-14-16-21-19-10-6-8-12-23(19)28(3,4)26(21)24(17)25(20)27;1-25(2)20-9-5-3-7-16(20)18-13-11-15-12-14-19-17-8-4-6-10-21(17)26-24(19)22(15)23(18)25/h3-22H,1-2H3;3-24H,1-2H3;3-19H,1-2H3;3-18H,1-2H3;5-16H,1-4H3;3-14H,1-2H3
InChIKeySWWBPNZKZINPCN-UHFFFAOYSA-N
XLogP49.85
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002498.31
LogP ≤ 549.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545787
9-(6-carbazol-9-ylnaphthalen-2-yl)carbazole;9-[4-[9-(4-carbazol-9-ylphenyl)fluoren-9-yl]phenyl]carbazole;9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole;9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole;12-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole;9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 157423124
18-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-21-thia-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635410
4-(23,23-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122464411
4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;5-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,5,5-triphenyl-4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 157050001
15,26,26-trimethyl-4-phenyl-4,15-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 145449729
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-diphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 160719162
12-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 163676528
[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 161099119
4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;5-[2-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,9,9-triphenyl-4-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 158105058
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 126580395

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene?
The IUPAC name of 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene (CID 160959769) is 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene?
The canonical SMILES for 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene is CC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C(C)(C)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C(c1ccccc1)(c1ccccc1)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c(c3c21)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c3c21.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5n(-c5ccccn5)c4c3c21.CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5sc4c3c21.
What is the InChIKey of 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene?
The InChIKey is SWWBPNZKZINPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26.C38H28.C31H23N.C30H22N2.C28H24.C25H18S/c1-37(2)30-15-7-3-13-26(30)28-21-19-23-20-22-29-27-14-6-10-18-33(27)38(36(29)34(23)35(28)37)31-16-8-4-11-24(31)25-12-5-9-17-32(25)38;1-37(2)32-19-11-9-17-28(32)30-23-21-25-22-24-31-29-18-10-12-20-33(29)38(26-13-5-3-6-14-26,27-15-7-4-8-16-27)36(31)34(25)35(30)37;1-31(2)26-14-8-6-12-22(26)24-18-16-20-17-19-25-23-13-7-9-15-27(23)32(21-10-4-3-5-11-21)30(25)28(20)29(24)31;1-30(2)24-11-5-3-9-20(24)22-16-14-19-15-17-23-21-10-4-6-12-25(21)32(26-13-7-8-18-31-26)29(23)27(19)28(22)30;1-27(2)22-11-7-5-9-18(22)20-15-13-17-14-16-21-19-10-6-8-12-23(19)28(3,4)26(21)24(17)25(20)27;1-25(2)20-9-5-3-7-16(20)18-13-11-15-12-14-19-17-8-4-6-10-21(17)26-24(19)22(15)23(18)25/h3-22H,1-2H3;3-24H,1-2H3;3-19H,1-2H3;3-18H,1-2H3;5-16H,1-4H3;3-14H,1-2H3.
What are the key properties of 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene?
3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene has a molecular weight of 2498.31 g/mol, XLogP of 49.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-23,23-diphenylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;23,23-dimethyl-3-pyridin-2-yl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3',3'-dimethylspiro[fluorene-9,23'-hexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene];23,23-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene;3,3,23,23-tetramethylhexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 160959769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).