9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene

C192H121N15S3 — CID 161279515

IUPAC9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c12.CC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)c21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccc7c8ccccc8sc7c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccc6c7ccccc7sc6c5ccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(ccc6sc7ccccc7c65)c43)nc3ccccc23)cc1
InChIInChI=1S/C42H25N3S.2C39H27N3.2C36H21N3S/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)40-33-13-4-7-15-35(33)43-42(44-40)45-36-16-8-5-14-34(36)39-30-22-23-31-29-12-6-9-17-38(29)46-41(31)32(30)24-25-37(39)45;1-39(2)31-17-9-6-15-29(31)35-26-20-21-27-25-14-8-11-19-34(25)42(37(27)28(26)22-23-32(35)39)38-40-33-18-10-7-16-30(33)36(41-38)24-12-4-3-5-13-24;1-39(2)31-17-9-6-14-25(31)27-21-20-26-28(36(27)39)22-23-34-35(26)30-16-8-11-19-33(30)42(34)38-40-32-18-10-7-15-29(32)37(41-38)24-12-4-3-5-13-24;1-2-10-22(11-3-1)34-27-13-4-7-15-29(27)37-36(38-34)39-30-16-8-5-14-28(30)33-24-18-19-25-23-12-6-9-17-32(23)40-35(25)26(24)20-21-31(33)39;1-2-10-22(11-3-1)34-27-13-4-7-15-29(27)37-36(38-34)39-30-16-8-5-12-23(30)25-19-18-24-26(35(25)39)20-21-32-33(24)28-14-6-9-17-31(28)40-32/h1-25H;2*3-23H,1-2H3;2*1-21H
InChIKeyVEWXDTRVPSLLJC-UHFFFAOYSA-N
MW2734.39 g/mol
LogP51.12
Rot. Bonds11

About 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene

9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene (PubChem CID 161279515) has the molecular formula C192H121N15S3 and a molecular weight of 2734.39 g/mol. Its IUPAC name is 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
PubChem CID161279515
Molecular FormulaC192H121N15S3
Molecular Weight2734.39 g/mol
Exact Mass2731.91
IUPAC Name9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c12.CC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)c21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccc7c8ccccc8sc7c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccc6c7ccccc7sc6c5ccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(ccc6sc7ccccc7c65)c43)nc3ccccc23)cc1
InChIInChI=1S/C42H25N3S.2C39H27N3.2C36H21N3S/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)40-33-13-4-7-15-35(33)43-42(44-40)45-36-16-8-5-14-34(36)39-30-22-23-31-29-12-6-9-17-38(29)46-41(31)32(30)24-25-37(39)45;1-39(2)31-17-9-6-15-29(31)35-26-20-21-27-25-14-8-11-19-34(25)42(37(27)28(26)22-23-32(35)39)38-40-33-18-10-7-16-30(33)36(41-38)24-12-4-3-5-13-24;1-39(2)31-17-9-6-14-25(31)27-21-20-26-28(36(27)39)22-23-34-35(26)30-16-8-11-19-33(30)42(34)38-40-32-18-10-7-15-29(32)37(41-38)24-12-4-3-5-13-24;1-2-10-22(11-3-1)34-27-13-4-7-15-29(27)37-36(38-34)39-30-16-8-5-14-28(30)33-24-18-19-25-23-12-6-9-17-32(23)40-35(25)26(24)20-21-31(33)39;1-2-10-22(11-3-1)34-27-13-4-7-15-29(27)37-36(38-34)39-30-16-8-5-12-23(30)25-19-18-24-26(35(25)39)20-21-32-33(24)28-14-6-9-17-31(28)40-32/h1-25H;2*3-23H,1-2H3;2*1-21H
InChIKeyVEWXDTRVPSLLJC-UHFFFAOYSA-N
XLogP51.12
TPSA153.55 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002734.39
LogP ≤ 551.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

9,9-dimethyl-15-(3-phenylquinoxalin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(3-phenylquinoxalin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(3-phenylquinoxalin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(3-phenylquinoxalin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 158752324
12-(4-dibenzothiophen-2-ylquinazolin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 71291239
2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 131979694
12-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 71291222
22-phenyl-3-(4-phenylquinazolin-2-yl)-14-thia-3,22-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene;22-phenyl-9-(4-phenylquinazolin-2-yl)-14-thia-9,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene;23-phenyl-3-(4-phenylquinazolin-2-yl)-15-thia-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15,15,23,23-tetramethyl-3-(4-phenylquinazolin-2-yl)-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 162227279
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-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
CID 122464922
17,17-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464909
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
21,21-dimethyl-3-(4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
CID 118602265
14,14-dimethyl-3-(4-phenylquinazolin-2-yl)-22-thia-3-azahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 118602098
19-(4,6-diphenylquinazolin-2-yl)-10-thia-19-azaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.020,25]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),20,22,24,27-tridecaene;5-(4-phenylquinazolin-2-yl)-19-thia-5-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-1(17),2,4(12),6,8,10,13,15,18(26),20,22,24,27-tridecaene;11-(4-phenylquinazolin-2-yl)-19-thia-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene
CID 159696399
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 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The IUPAC name of 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene (CID 161279515) is 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The canonical SMILES for 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene is CC1(C)c2ccccc2-c2c1ccc1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)c4ccccc4n3)c12.CC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)c21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccc7c8ccccc8sc7c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccc6c7ccccc7sc6c5ccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(ccc6sc7ccccc7c65)c43)nc3ccccc23)cc1.
What is the InChIKey of 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The InChIKey is VEWXDTRVPSLLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3S.2C39H27N3.2C36H21N3S/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)40-33-13-4-7-15-35(33)43-42(44-40)45-36-16-8-5-14-34(36)39-30-22-23-31-29-12-6-9-17-38(29)46-41(31)32(30)24-25-37(39)45;1-39(2)31-17-9-6-15-29(31)35-26-20-21-27-25-14-8-11-19-34(25)42(37(27)28(26)22-23-32(35)39)38-40-33-18-10-7-16-30(33)36(41-38)24-12-4-3-5-13-24;1-39(2)31-17-9-6-14-25(31)27-21-20-26-28(36(27)39)22-23-34-35(26)30-16-8-11-19-33(30)42(34)38-40-32-18-10-7-15-29(32)37(41-38)24-12-4-3-5-13-24;1-2-10-22(11-3-1)34-27-13-4-7-15-29(27)37-36(38-34)39-30-16-8-5-14-28(30)33-24-18-19-25-23-12-6-9-17-32(23)40-35(25)26(24)20-21-31(33)39;1-2-10-22(11-3-1)34-27-13-4-7-15-29(27)37-36(38-34)39-30-16-8-5-12-23(30)25-19-18-24-26(35(25)39)20-21-32-33(24)28-14-6-9-17-31(28)40-32/h1-25H;2*3-23H,1-2H3;2*1-21H.
What are the key properties of 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene has a molecular weight of 2734.39 g/mol, XLogP of 51.12, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-15-(4-phenylquinazolin-2-yl)-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15,15-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-[4-(4-phenylphenyl)quinazolin-2-yl]-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-(4-phenylquinazolin-2-yl)-15-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(4-phenylquinazolin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 161279515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).