10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole

C144H84N6S2 — CID 167631202

About 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole

10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole (PubChem CID 167631202) has the molecular formula C144H84N6S2 and a molecular weight of 1962.43 g/mol. Its IUPAC name is 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole.

Molecular Properties

• Compound Name: 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole
• PubChem CID: 167631202
• Molecular Formula: C144H84N6S2
• Molecular Weight: 1962.43 g/mol
• Exact Mass: 1960.62
• IUPAC Name: 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c4c(c5c6ccccc6n(-c6ccccc6)c5c32)-c2cccc3cccc-4c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4c-5ccc5sc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccc6sc7ccccc7c6c4-5)ccc32)cc1
• InChI: InChI=1S/2C52H30N2S.C40H24N2/c1-2-11-33(12-3-1)53-43-18-7-4-13-34(43)41-29-31(21-25-46(41)53)32-22-26-47-42(30-32)35-14-5-8-19-44(35)54(47)45-27-23-36-37-24-28-49-52(39-15-6-9-20-48(39)55-49)51(37)40-17-10-16-38(45)50(36)40;1-2-11-33(12-3-1)53-43-18-7-4-13-34(43)41-29-31(21-25-46(41)53)32-22-26-47-42(30-32)35-14-5-8-19-44(35)54(47)45-27-23-40-50-36(16-10-17-38(45)50)37-24-28-49-52(51(37)40)39-15-6-9-20-48(39)55-49;1-3-15-26(16-4-1)41-32-23-9-7-19-28(32)37-35-30-21-11-13-25-14-12-22-31(34(25)30)36(35)38-29-20-8-10-24-33(29)42(40(38)39(37)41)27-17-5-2-6-18-27/h2*1-30H;1-24H
• InChIKey: NVDXCQOCCRFVCJ-UHFFFAOYSA-N
• XLogP: 40.11
• TPSA: 29.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1962.43
LogP ≤ 5	40.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole?

The IUPAC name of 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole (CID 167631202) is 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole.

What is the SMILES notation for 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole?

The canonical SMILES for 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole is c1ccc(-n2c3ccccc3c3c4c(c5c6ccccc6n(-c6ccccc6)c5c32)-c2cccc3cccc-4c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4c-5ccc5sc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccc6sc7ccccc7c6c4-5)ccc32)cc1.

What is the InChIKey of 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole?

The InChIKey is NVDXCQOCCRFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H30N2S.C40H24N2/c1-2-11-33(12-3-1)53-43-18-7-4-13-34(43)41-29-31(21-25-46(41)53)32-22-26-47-42(30-32)35-14-5-8-19-44(35)54(47)45-27-23-36-37-24-28-49-52(39-15-6-9-20-48(39)55-49)51(37)40-17-10-16-38(45)50(36)40;1-2-11-33(12-3-1)53-43-18-7-4-13-34(43)41-29-31(21-25-46(41)53)32-22-26-47-42(30-32)35-14-5-8-19-44(35)54(47)45-27-23-40-50-36(16-10-17-38(45)50)37-24-28-49-52(51(37)40)39-15-6-9-20-48(39)55-49;1-3-15-26(16-4-1)41-32-23-9-7-19-28(32)37-35-30-21-11-13-25-14-12-22-31(34(25)30)36(35)38-29-20-8-10-24-33(29)42(40(38)39(37)41)27-17-5-2-6-18-27/h2*1-30H;1-24H.

What are the key properties of 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole?

10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole has a molecular weight of 1962.43 g/mol, XLogP of 40.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10,13-diphenyl-10,13-diazaoctacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole is sourced from PubChem (CID 167631202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).