4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

C167H110N6S3 — CID 157076827

About 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline (PubChem CID 157076827) has the molecular formula C167H110N6S3 and a molecular weight of 2296.96 g/mol. Its IUPAC name is 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline.

Molecular Properties

• Compound Name: 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
• PubChem CID: 157076827
• Molecular Formula: C167H110N6S3
• Molecular Weight: 2296.96 g/mol
• Exact Mass: 2294.80
• IUPAC Name: 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc5sc6ccccc6c5cc4n(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc4)c3cc21.c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3ccccc23)cc1
• InChI: InChI=1S/C61H42N2S.C56H36N2S.C50H32N2S/c1-61(2)55-18-10-8-16-49(55)51-35-52-53-37-60-54(50-17-9-11-19-59(50)64-60)36-57(53)63(58(52)38-56(51)61)48-32-24-41(25-33-48)40-22-28-46(29-23-40)62(45-14-4-3-5-15-45)47-30-26-42(27-31-47)44-21-20-39-12-6-7-13-43(39)34-44;1-2-13-41(14-3-1)57(43-32-26-39(27-33-43)50-34-40-12-4-5-15-45(40)46-16-6-7-17-47(46)50)42-28-22-37(23-29-42)38-24-30-44(31-25-38)58-53-20-10-8-18-48(53)51-36-56-52(35-54(51)58)49-19-9-11-21-55(49)59-56;1-2-14-37(15-3-1)51(38-26-24-34(25-27-38)36-23-22-33-12-4-5-13-35(33)30-36)46-28-29-47(40-17-7-6-16-39(40)46)52-45-20-10-8-18-41(45)43-32-50-44(31-48(43)52)42-19-9-11-21-49(42)53-50/h3-38H,1-2H3;1-36H;1-32H
• InChIKey: ADBJNITXAWUERG-UHFFFAOYSA-N
• XLogP: 48.27
• TPSA: 24.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2296.96
LogP ≤ 5	48.27
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 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?

The IUPAC name of 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline (CID 157076827) is 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline.

What is the SMILES notation for 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?

The canonical SMILES for 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline is CC1(C)c2ccccc2-c2cc3c4cc5sc6ccccc6c5cc4n(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc4)c3cc21.c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3ccccc23)cc1.

What is the InChIKey of 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?

The InChIKey is ADBJNITXAWUERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2S.C56H36N2S.C50H32N2S/c1-61(2)55-18-10-8-16-49(55)51-35-52-53-37-60-54(50-17-9-11-19-59(50)64-60)36-57(53)63(58(52)38-56(51)61)48-32-24-41(25-33-48)40-22-28-46(29-23-40)62(45-14-4-3-5-15-45)47-30-26-42(27-31-47)44-21-20-39-12-6-7-13-43(39)34-44;1-2-13-41(14-3-1)57(43-32-26-39(27-33-43)50-34-40-12-4-5-15-45(40)46-16-6-7-17-47(46)50)42-28-22-37(23-29-42)38-24-30-44(31-25-38)58-53-20-10-8-18-48(53)51-36-56-52(35-54(51)58)49-19-9-11-21-55(49)59-56;1-2-14-37(15-3-1)51(38-26-24-34(25-27-38)36-23-22-33-12-4-5-13-35(33)30-36)46-28-29-47(40-17-7-6-16-39(40)46)52-45-20-10-8-18-41(45)43-32-50-44(31-48(43)52)42-19-9-11-21-49(42)53-50/h3-38H,1-2H3;1-36H;1-32H.

What are the key properties of 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?

4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline has a molecular weight of 2296.96 g/mol, XLogP of 48.27, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine;4-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline;4-[4-(11,11-dimethyl-25-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 157076827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).