N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine

C248H160N10O3S2 — CID 161453503

About N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 161453503) has the molecular formula C248H160N10O3S2 and a molecular weight of 3392.21 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
• PubChem CID: 161453503
• Molecular Formula: C248H160N10O3S2
• Molecular Weight: 3392.21 g/mol
• Exact Mass: 3389.21
• IUPAC Name: N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)ccc43)cccc2c1
• InChI: InChI=1S/C64H40N2S.3C46H30N2O.C46H30N2S/c1-2-14-49-43(12-1)13-11-22-60(49)66-61-21-9-7-19-55(61)58-38-44(28-36-62(58)66)41-24-30-46(31-25-41)65(48-34-35-54-52-17-4-3-15-50(52)51-16-5-6-18-53(51)57(54)40-48)47-32-26-42(27-33-47)45-29-37-64-59(39-45)56-20-8-10-23-63(56)67-64;1-2-13-35(14-3-1)47(44-19-10-17-40-39-16-7-9-20-45(39)49-46(40)44)36-25-21-32(22-26-36)34-24-28-43-41(30-34)38-15-6-8-18-42(38)48(43)37-27-23-31-11-4-5-12-33(31)29-37;2*1-2-12-35(13-3-1)47(38-25-27-46-42(30-38)40-15-7-9-17-45(40)49-46)36-22-18-32(19-23-36)34-21-26-44-41(29-34)39-14-6-8-16-43(39)48(44)37-24-20-31-10-4-5-11-33(31)28-37;1-2-13-35(14-3-1)47(44-19-10-17-40-39-16-7-9-20-45(39)49-46(40)44)36-25-21-32(22-26-36)34-24-28-43-41(30-34)38-15-6-8-18-42(38)48(43)37-27-23-31-11-4-5-12-33(31)29-37/h1-40H;4*1-30H
• InChIKey: WAVOOJCJVMGJMY-UHFFFAOYSA-N
• XLogP: 70.93
• TPSA: 80.27 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3392.21
LogP ≤ 5	70.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?

The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine (CID 161453503) is N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine.

What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?

The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2cccc3c2sc2ccccc23)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)ccc43)cccc2c1.

What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?

The InChIKey is WAVOOJCJVMGJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2S.3C46H30N2O.C46H30N2S/c1-2-14-49-43(12-1)13-11-22-60(49)66-61-21-9-7-19-55(61)58-38-44(28-36-62(58)66)41-24-30-46(31-25-41)65(48-34-35-54-52-17-4-3-15-50(52)51-16-5-6-18-53(51)57(54)40-48)47-32-26-42(27-33-47)45-29-37-64-59(39-45)56-20-8-10-23-63(56)67-64;1-2-13-35(14-3-1)47(44-19-10-17-40-39-16-7-9-20-45(39)49-46(40)44)36-25-21-32(22-26-36)34-24-28-43-41(30-34)38-15-6-8-18-42(38)48(43)37-27-23-31-11-4-5-12-33(31)29-37;2*1-2-12-35(13-3-1)47(38-25-27-46-42(30-38)40-15-7-9-17-45(40)49-46)36-22-18-32(19-23-36)34-21-26-44-41(29-34)39-14-6-8-16-43(39)48(44)37-24-20-31-10-4-5-11-33(31)28-37;1-2-13-35(14-3-1)47(44-19-10-17-40-39-16-7-9-20-45(39)49-46(40)44)36-25-21-32(22-26-36)34-24-28-43-41(30-34)38-15-6-8-18-42(38)48(43)37-27-23-31-11-4-5-12-33(31)29-37/h1-40H;4*1-30H.

What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 3392.21 g/mol, XLogP of 70.93, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]triphenylen-2-amine;bis(N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-2-amine);N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 161453503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).