N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole

C110H92N6 — CID 123521263

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole (PubChem CID 123521263) has the molecular formula C110H92N6 and a molecular weight of 1497.99 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole
• PubChem CID: 123521263
• Molecular Formula: C110H92N6
• Molecular Weight: 1497.99 g/mol
• Exact Mass: 1496.74
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole
• SMILES: CCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(C)ccc3n4CC)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C81H66N4.C29H26N2/c1-53-20-47-77-71(50-53)70-16-10-13-19-76(70)84(77)66-43-29-58(30-44-66)55-23-37-63(38-24-55)82(62-35-21-54(22-36-62)57-27-41-65(42-28-57)83-74-17-11-8-14-68(74)69-15-9-12-18-75(69)83)64-39-25-56(26-40-64)59-31-45-67(46-32-59)85-78-48-33-60(80(2,3)4)51-72(78)73-52-61(81(5,6)7)34-49-79(73)85;1-4-30-26-9-7-6-8-22(26)24-17-20(11-14-28(24)30)21-12-15-29-25(18-21)23-16-19(3)10-13-27(23)31(29)5-2/h8-52H,1-7H3;6-18H,4-5H2,1-3H3
• InChIKey: ADUCHDDMJZQUNH-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 27.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1497.99
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole (CID 123521263) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole is CCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(C)ccc3n4CC)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole?

The InChIKey is ADUCHDDMJZQUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H66N4.C29H26N2/c1-53-20-47-77-71(50-53)70-16-10-13-19-76(70)84(77)66-43-29-58(30-44-66)55-23-37-63(38-24-55)82(62-35-21-54(22-36-62)57-27-41-65(42-28-57)83-74-17-11-8-14-68(74)69-15-9-12-18-75(69)83)64-39-25-56(26-40-64)59-31-45-67(46-32-59)85-78-48-33-60(80(2,3)4)51-72(78)73-52-61(81(5,6)7)34-49-79(73)85;1-4-30-26-9-7-6-8-22(26)24-17-20(11-14-28(24)30)21-12-15-29-25(18-21)23-16-19(3)10-13-27(23)31(29)5-2/h8-52H,1-7H3;6-18H,4-5H2,1-3H3.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole has a molecular weight of 1497.99 g/mol, XLogP of 30.27, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole is sourced from PubChem (CID 123521263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).