9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole

C230H144N4S4 — CID 161077706

About 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole

9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole (PubChem CID 161077706) has the molecular formula C230H144N4S4 and a molecular weight of 3091.98 g/mol. Its IUPAC name is 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole
• PubChem CID: 161077706
• Molecular Formula: C230H144N4S4
• Molecular Weight: 3091.98 g/mol
• Exact Mass: 3089.03
• IUPAC Name: 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cc32)cc1.c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(c4ccccc4c4ccccc34)Sc3c2c2ccccc2c2ccccc32)cc1
• InChI: InChI=1S/3C59H37NS.C53H33NS/c1-3-18-39(19-4-1)59(40-36-34-38(35-37-40)42-31-17-33-53-54(42)51-30-15-16-32-52(51)60(53)41-20-5-2-6-21-41)55-47-26-11-7-22-43(47)45-24-9-13-28-49(45)57(55)61-58-50-29-14-10-25-46(50)44-23-8-12-27-48(44)56(58)59;1-3-17-40(18-4-1)59(41-34-31-38(32-35-41)39-33-36-48-47-25-15-16-30-53(47)60(54(48)37-39)42-19-5-2-6-20-42)55-49-26-11-7-21-43(49)45-23-9-13-28-51(45)57(55)61-58-52-29-14-10-24-46(52)44-22-8-12-27-50(44)56(58)59;1-3-17-40(18-4-1)59(41-34-31-38(32-35-41)39-33-36-54-52(37-39)47-25-15-16-30-53(47)60(54)42-19-5-2-6-20-42)55-48-26-11-7-21-43(48)45-23-9-13-28-50(45)57(55)61-58-51-29-14-10-24-46(51)44-22-8-12-27-49(44)56(58)59;1-2-16-34(17-3-1)53(35-30-32-36(33-31-35)54-47-28-14-12-22-41(47)42-23-13-15-29-48(42)54)49-43-24-8-4-18-37(43)39-20-6-10-26-45(39)51(49)55-52-46-27-11-7-21-40(46)38-19-5-9-25-44(38)50(52)53/h3*1-37H;1-33H
• InChIKey: UFMRGAVIKKSJBK-UHFFFAOYSA-N
• XLogP: 61.98
• TPSA: 19.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3091.98
LogP ≤ 5	61.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole?

The IUPAC name of 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole (CID 161077706) is 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole.

What is the SMILES notation for 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole?

The canonical SMILES for 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cc32)cc1.c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c(c4ccccc4c4ccccc34)Sc3c2c2ccccc2c2ccccc32)cc1.

What is the InChIKey of 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole?

The InChIKey is UFMRGAVIKKSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H37NS.C53H33NS/c1-3-18-39(19-4-1)59(40-36-34-38(35-37-40)42-31-17-33-53-54(42)51-30-15-16-32-52(51)60(53)41-20-5-2-6-21-41)55-47-26-11-7-22-43(47)45-24-9-13-28-49(45)57(55)61-58-50-29-14-10-25-46(50)44-23-8-12-27-48(44)56(58)59;1-3-17-40(18-4-1)59(41-34-31-38(32-35-41)39-33-36-48-47-25-15-16-30-53(47)60(54(48)37-39)42-19-5-2-6-20-42)55-49-26-11-7-21-43(49)45-23-9-13-28-51(45)57(55)61-58-52-29-14-10-24-46(52)44-22-8-12-27-50(44)56(58)59;1-3-17-40(18-4-1)59(41-34-31-38(32-35-41)39-33-36-54-52(37-39)47-25-15-16-30-53(47)60(54)42-19-5-2-6-20-42)55-48-26-11-7-21-43(48)45-23-9-13-28-50(45)57(55)61-58-51-29-14-10-24-46(51)44-22-8-12-27-49(44)56(58)59;1-2-16-34(17-3-1)53(35-30-32-36(33-31-35)54-47-28-14-12-22-41(47)42-23-13-15-29-48(42)54)49-43-24-8-4-18-37(43)39-20-6-10-26-45(39)51(49)55-52-46-27-11-7-21-40(46)38-19-5-9-25-44(38)50(52)53/h3*1-37H;1-33H.

What are the key properties of 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole?

9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole has a molecular weight of 3091.98 g/mol, XLogP of 61.98, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole is sourced from PubChem (CID 161077706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).