N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline

C162H150N8O6 — CID 159970559

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline (PubChem CID 159970559) has the molecular formula C162H150N8O6 and a molecular weight of 2315.07 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline
• PubChem CID: 159970559
• Molecular Formula: C162H150N8O6
• Molecular Weight: 2315.07 g/mol
• Exact Mass: 2313.21
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline
• SMILES: [3H]c1ccc(N(c2ccc([3H])cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.[3H]c1cccc(N(c2ccc(Oc3cccc(N(c4ccc(-c5ccc(N(c6ccc(Oc7cccc(N(c8cccc([3H])c8)c8cccc(OCCCCCC)c8)c7)cc6)c6cccc(OCCCCCC)c6)cc5)cc4)c4cccc(OCCCCCC)c4)c3)cc2)c2cccc(OCCCCCC)c2)c1.[3H]c1cccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
• InChI: InChI=1S/C96H102N4O6.C36H26N2.C30H22N2/c1-5-9-13-23-65-101-91-43-27-37-83(69-91)97(77-33-19-17-20-34-77)81-57-61-89(62-58-81)106-96-48-32-42-88(74-96)100(86-40-30-46-94(72-86)104-68-26-16-12-8-4)80-55-51-76(52-56-80)75-49-53-79(54-50-75)98(84-38-28-44-92(70-84)102-66-24-14-10-6-2)82-59-63-90(64-60-82)105-95-47-31-41-87(73-95)99(78-35-21-18-22-36-78)85-39-29-45-93(71-85)103-67-25-15-11-7-3;1-3-11-29(12-4-1)37(30-13-5-2-6-14-30)31-23-19-27(20-24-31)28-21-25-32(26-22-28)38-35-17-9-7-15-33(35)34-16-8-10-18-36(34)38;1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)25-16-11-17-26(22-25)32-29-20-9-7-18-27(29)28-19-8-10-21-30(28)32/h17-22,27-64,69-74H,5-16,23-26,65-68H2,1-4H3;1-26H;1-22H/i19T,21T;1T,2T;3T
• InChIKey: OEMLKMYNKCKVFF-DHABXIJASA-N
• XLogP: 46.83
• TPSA: 84.68 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 50
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2315.07
LogP ≤ 5	46.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline (CID 159970559) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline is [3H]c1ccc(N(c2ccc([3H])cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.[3H]c1cccc(N(c2ccc(Oc3cccc(N(c4ccc(-c5ccc(N(c6ccc(Oc7cccc(N(c8cccc([3H])c8)c8cccc(OCCCCCC)c8)c7)cc6)c6cccc(OCCCCCC)c6)cc5)cc4)c4cccc(OCCCCCC)c4)c3)cc2)c2cccc(OCCCCCC)c2)c1.[3H]c1cccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline?

The InChIKey is OEMLKMYNKCKVFF-DHABXIJASA-N. The full InChI is InChI=1S/C96H102N4O6.C36H26N2.C30H22N2/c1-5-9-13-23-65-101-91-43-27-37-83(69-91)97(77-33-19-17-20-34-77)81-57-61-89(62-58-81)106-96-48-32-42-88(74-96)100(86-40-30-46-94(72-86)104-68-26-16-12-8-4)80-55-51-76(52-56-80)75-49-53-79(54-50-75)98(84-38-28-44-92(70-84)102-66-24-14-10-6-2)82-59-63-90(64-60-82)105-95-47-31-41-87(73-95)99(78-35-21-18-22-36-78)85-39-29-45-93(71-85)103-67-25-15-11-7-3;1-3-11-29(12-4-1)37(30-13-5-2-6-14-30)31-23-19-27(20-24-31)28-21-25-32(26-22-28)38-35-17-9-7-15-33(35)34-16-8-10-18-36(34)38;1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)25-16-11-17-26(22-25)32-29-20-9-7-18-27(29)28-19-8-10-21-30(28)32/h17-22,27-64,69-74H,5-16,23-26,65-68H2,1-4H3;1-26H;1-22H/i19T,21T;1T,2T;3T.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline has a molecular weight of 2315.07 g/mol, XLogP of 46.83, 50 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-tritio-N-(4-tritiophenyl)aniline;3-carbazol-9-yl-N-phenyl-N-(3-tritiophenyl)aniline;N-(3-hexoxyphenyl)-N-[4-[3-[N-(3-hexoxyphenyl)-4-[4-[N-(3-hexoxyphenyl)-4-[3-(N-(3-hexoxyphenyl)-3-tritioanilino)phenoxy]anilino]phenyl]anilino]phenoxy]phenyl]-3-tritioaniline is sourced from PubChem (CID 159970559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).