N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine

C200H130N8OS3 — CID 162244796

About N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine

N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine (PubChem CID 162244796) has the molecular formula C200H130N8OS3 and a molecular weight of 2757.50 g/mol. Its IUPAC name is N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
• PubChem CID: 162244796
• Molecular Formula: C200H130N8OS3
• Molecular Weight: 2757.50 g/mol
• Exact Mass: 2754.95
• IUPAC Name: N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(N(c6ccc7sc8ccccc8c7c6)c6cccc7ccccc67)c5)cc43)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc(N(c5ccc6sc7ccccc7c6c5)c5cccc6ccccc56)c4)cc32)cc1
• InChI: InChI=1S/2C52H34N2S.C50H32N2O.C46H30N2S/c1-2-12-35(13-3-1)36-24-27-40(28-25-36)54-49-21-8-6-19-44(49)45-30-26-39(33-50(45)54)38-16-10-17-41(32-38)53(48-22-11-15-37-14-4-5-18-43(37)48)42-29-31-52-47(34-42)46-20-7-9-23-51(46)55-52;1-2-11-35(12-3-1)37-21-25-41(26-22-37)53(44-28-30-52-48(34-44)47-18-7-9-20-51(47)55-52)42-16-10-15-39(32-42)40-24-29-46-45-17-6-8-19-49(45)54(50(46)33-40)43-27-23-36-13-4-5-14-38(36)31-43;1-2-13-36(14-3-1)52-46-20-10-8-18-42(46)45-30-34(24-29-47(45)52)33-22-25-37(26-23-33)51(38-27-28-44-43-19-9-11-21-49(43)53-50(44)32-38)48-31-35-12-4-5-15-39(35)40-16-6-7-17-41(40)48;1-2-15-34(16-3-1)48-43-21-8-6-19-38(43)39-26-24-33(29-44(39)48)32-14-10-17-35(28-32)47(42-22-11-13-31-12-4-5-18-37(31)42)36-25-27-46-41(30-36)40-20-7-9-23-45(40)49-46/h2*1-34H;1-32H;1-30H
• InChIKey: ZXEMYVPGAWDUBP-UHFFFAOYSA-N
• XLogP: 57.79
• TPSA: 45.82 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2757.50
LogP ≤ 5	57.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine?

The IUPAC name of N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine (CID 162244796) is N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine.

What is the SMILES notation for N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine?

The canonical SMILES for N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(N(c6ccc7sc8ccccc8c7c6)c6cccc7ccccc67)c5)cc43)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc(N(c5ccc6sc7ccccc7c6c5)c5cccc6ccccc56)c4)cc32)cc1.

What is the InChIKey of N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine?

The InChIKey is ZXEMYVPGAWDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N2S.C50H32N2O.C46H30N2S/c1-2-12-35(13-3-1)36-24-27-40(28-25-36)54-49-21-8-6-19-44(49)45-30-26-39(33-50(45)54)38-16-10-17-41(32-38)53(48-22-11-15-37-14-4-5-18-43(37)48)42-29-31-52-47(34-42)46-20-7-9-23-51(46)55-52;1-2-11-35(12-3-1)37-21-25-41(26-22-37)53(44-28-30-52-48(34-44)47-18-7-9-20-51(47)55-52)42-16-10-15-39(32-42)40-24-29-46-45-17-6-8-19-49(45)54(50(46)33-40)43-27-23-36-13-4-5-14-38(36)31-43;1-2-13-36(14-3-1)52-46-20-10-8-18-42(46)45-30-34(24-29-47(45)52)33-22-25-37(26-23-33)51(38-27-28-44-43-19-9-11-21-49(43)53-50(44)32-38)48-31-35-12-4-5-15-39(35)40-16-6-7-17-41(40)48;1-2-15-34(16-3-1)48-43-21-8-6-19-38(43)39-26-24-33(29-44(39)48)32-14-10-17-35(28-32)47(42-22-11-13-31-12-4-5-18-37(31)42)36-25-27-46-41(30-36)40-20-7-9-23-45(40)49-46/h2*1-34H;1-32H;1-30H.

What are the key properties of N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine?

N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 2757.50 g/mol, XLogP of 57.79, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 162244796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).