30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene

C136H76N8S3 — CID 158387584

About 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene

30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene (PubChem CID 158387584) has the molecular formula C136H76N8S3 and a molecular weight of 1918.36 g/mol. Its IUPAC name is 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene.

Molecular Properties

• Compound Name: 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene
• PubChem CID: 158387584
• Molecular Formula: C136H76N8S3
• Molecular Weight: 1918.36 g/mol
• Exact Mass: 1916.54
• IUPAC Name: 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene
• SMILES: c1ccc(-c2nc(-n3c4cc5sc6ccccc6c5c5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4sc5ccccc5c4c4c3c3c5c(cccc5ccc32)-c2ccccc2-4)cc1.c1ccc2c(c1)-c1cccc3ccc4c(c13)c1c-2c2c(cc1n4-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1)sc1ccccc12
• InChI: InChI=1S/C52H30N2S.2C42H23N3S/c1-2-14-40-36(11-1)39-16-9-10-33-24-29-44-51(48(33)39)52-45(30-47-49(50(40)52)41-15-5-8-19-46(41)55-47)54(44)35-27-22-32(23-28-35)31-20-25-34(26-21-31)53-42-17-6-3-12-37(42)38-13-4-7-18-43(38)53;1-2-11-25(12-3-1)41-42(44-31-19-8-7-18-30(31)43-41)45-32-22-21-24-13-10-17-27-26-14-4-5-15-28(26)38-37-29-16-6-9-20-34(29)46-35(37)23-33(45)40(38)39(32)36(24)27;1-2-11-25(12-3-1)41-29-16-6-8-19-31(29)43-42(44-41)45-32-22-21-24-13-10-18-27-26-14-4-5-15-28(26)38-37-30-17-7-9-20-34(30)46-35(37)23-33(45)40(38)39(32)36(24)27/h1-30H;2*1-23H
• InChIKey: GWNWVTGVLAXAIE-UHFFFAOYSA-N
• XLogP: 37.84
• TPSA: 71.28 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.36
LogP ≤ 5	37.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene?

The IUPAC name of 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene (CID 158387584) is 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene.

What is the SMILES notation for 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene?

The canonical SMILES for 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene is c1ccc(-c2nc(-n3c4cc5sc6ccccc6c5c5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4sc5ccccc5c4c4c3c3c5c(cccc5ccc32)-c2ccccc2-4)cc1.c1ccc2c(c1)-c1cccc3ccc4c(c13)c1c-2c2c(cc1n4-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1)sc1ccccc12.

What is the InChIKey of 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene?

The InChIKey is GWNWVTGVLAXAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2S.2C42H23N3S/c1-2-14-40-36(11-1)39-16-9-10-33-24-29-44-51(48(33)39)52-45(30-47-49(50(40)52)41-15-5-8-19-46(41)55-47)54(44)35-27-22-32(23-28-35)31-20-25-34(26-21-31)53-42-17-6-3-12-37(42)38-13-4-7-18-43(38)53;1-2-11-25(12-3-1)41-42(44-31-19-8-7-18-30(31)43-41)45-32-22-21-24-13-10-17-27-26-14-4-5-15-28(26)38-37-29-16-6-9-20-34(29)46-35(37)23-33(45)40(38)39(32)36(24)27;1-2-11-25(12-3-1)41-29-16-6-8-19-31(29)43-42(44-41)45-32-22-21-24-13-10-18-27-26-14-4-5-15-28(26)38-37-30-17-7-9-20-34(30)46-35(37)23-33(45)40(38)39(32)36(24)27/h1-30H;2*1-23H.

What are the key properties of 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene?

30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene has a molecular weight of 1918.36 g/mol, XLogP of 37.84, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 30-[4-(4-carbazol-9-ylphenyl)phenyl]-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(4-phenylquinazolin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene;30-(3-phenylquinoxalin-2-yl)-6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 158387584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).