9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole

C135H84N6OS2 — CID 157472147

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole (PubChem CID 157472147) has the molecular formula C135H84N6OS2 and a molecular weight of 1870.33 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole.

Molecular Properties

• Compound Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole
• PubChem CID: 157472147
• Molecular Formula: C135H84N6OS2
• Molecular Weight: 1870.33 g/mol
• Exact Mass: 1868.61
• IUPAC Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6c(-c7ccccc7)c7cc8sc9ccccc9c8cc7c7ccccc67)ccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc6sc7ccccc7c6cc5c5ccccc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5oc6ccccc6c5cc4c4ccccc34)cc2)cc1
• InChI: InChI=1S/C59H36N4S.C38H25NO.C38H23NS/c1-4-17-37(18-5-1)55-50-36-54-49(45-27-13-15-30-53(45)64-54)35-47(50)43-25-10-11-28-46(43)56(55)40-31-32-52-48(34-40)44-26-12-14-29-51(44)63(52)42-24-16-23-41(33-42)59-61-57(38-19-6-2-7-20-38)60-58(62-59)39-21-8-3-9-22-39;1-3-11-28(12-4-1)39(29-13-5-2-6-14-29)30-21-19-26(20-22-30)34-23-27-24-38-36(33-17-9-10-18-37(33)40-38)25-35(27)32-16-8-7-15-31(32)34;1-2-10-26(11-3-1)39-35-16-8-6-14-29(35)33-20-24(18-19-36(33)39)31-21-25-22-38-34(30-15-7-9-17-37(30)40-38)23-32(25)28-13-5-4-12-27(28)31/h1-36H;1-25H;1-23H
• InChIKey: BVDXNOCDLSNFFV-UHFFFAOYSA-N
• XLogP: 38.13
• TPSA: 64.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1870.33
LogP ≤ 5	38.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole?

The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole (CID 157472147) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole.

What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole?

The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6c(-c7ccccc7)c7cc8sc9ccccc9c8cc7c7ccccc67)ccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5cc6sc7ccccc7c6cc5c5ccccc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5oc6ccccc6c5cc4c4ccccc34)cc2)cc1.

What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole?

The InChIKey is BVDXNOCDLSNFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4S.C38H25NO.C38H23NS/c1-4-17-37(18-5-1)55-50-36-54-49(45-27-13-15-30-53(45)64-54)35-47(50)43-25-10-11-28-46(43)56(55)40-31-32-52-48(34-40)44-26-12-14-29-51(44)63(52)42-24-16-23-41(33-42)59-61-57(38-19-6-2-7-20-38)60-58(62-59)39-21-8-3-9-22-39;1-3-11-28(12-4-1)39(29-13-5-2-6-14-29)30-21-19-26(20-22-30)34-23-27-24-38-36(33-17-9-10-18-37(33)40-38)25-35(27)32-16-8-7-15-31(32)34;1-2-10-26(11-3-1)39-35-16-8-6-14-29(35)33-20-24(18-19-36(33)39)31-21-25-22-38-34(30-15-7-9-17-37(30)40-38)23-32(25)28-13-5-4-12-27(28)31/h1-36H;1-25H;1-23H.

What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole?

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole has a molecular weight of 1870.33 g/mol, XLogP of 38.13, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole;4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)-N,N-diphenylaniline;9-phenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-yl)carbazole is sourced from PubChem (CID 157472147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).