9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine

C219H165N15 — CID 162219432

About 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine

9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine (PubChem CID 162219432) has the molecular formula C219H165N15 and a molecular weight of 3006.83 g/mol. Its IUPAC name is 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine.

Molecular Properties

• Compound Name: 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
• PubChem CID: 162219432
• Molecular Formula: C219H165N15
• Molecular Weight: 3006.83 g/mol
• Exact Mass: 3004.34
• IUPAC Name: 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
• SMILES: Cc1cc(-c2ccc(-c3cc(-c4ccccc4C)nc(-c4ccccc4C)n3)cc2)ccc1-c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c(C)c3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4C)cc3)cc2)cc1
• InChI: InChI=1S/3C73H55N5/c1-50-20-16-18-30-65(50)70-49-69(74-73(75-70)66-31-19-17-21-51(66)2)55-34-32-53(33-35-55)56-38-43-64(52(3)46-56)54-36-39-61(40-37-54)78-71-44-41-62(76(57-22-8-4-9-23-57)58-24-10-5-11-25-58)47-67(71)68-48-63(42-45-72(68)78)77(59-26-12-6-13-27-59)60-28-14-7-15-29-60;1-50-24-35-61(36-25-50)77(62-37-26-51(2)27-38-62)65-42-45-72-68(48-65)67-47-64(76(59-20-12-6-13-21-59)60-22-14-7-15-23-60)41-44-71(67)78(72)63-39-32-53(33-40-63)58-34-43-66(52(3)46-58)54-28-30-56(31-29-54)70-49-69(55-16-8-4-9-17-55)74-73(75-70)57-18-10-5-11-19-57;1-50-24-35-61(36-25-50)77(62-37-26-51(2)27-38-62)65-42-45-72-68(48-65)67-47-64(76(59-20-12-6-13-21-59)60-22-14-7-15-23-60)41-44-71(67)78(72)63-39-32-54(33-40-63)53-28-30-55(31-29-53)66-43-34-58(46-52(66)3)70-49-69(56-16-8-4-9-17-56)74-73(75-70)57-18-10-5-11-19-57/h3*4-49H,1-3H3
• InChIKey: ZTXPBZPKPVQHRL-UHFFFAOYSA-N
• XLogP: 59.32
• TPSA: 111.57 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 36
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3006.83
LogP ≤ 5	59.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine?

The IUPAC name of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine (CID 162219432) is 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine.

What is the SMILES notation for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine?

The canonical SMILES for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine is Cc1cc(-c2ccc(-c3cc(-c4ccccc4C)nc(-c4ccccc4C)n3)cc2)ccc1-c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c(C)c3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4C)cc3)cc2)cc1.

What is the InChIKey of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine?

The InChIKey is ZTXPBZPKPVQHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C73H55N5/c1-50-20-16-18-30-65(50)70-49-69(74-73(75-70)66-31-19-17-21-51(66)2)55-34-32-53(33-35-55)56-38-43-64(52(3)46-56)54-36-39-61(40-37-54)78-71-44-41-62(76(57-22-8-4-9-23-57)58-24-10-5-11-25-58)47-67(71)68-48-63(42-45-72(68)78)77(59-26-12-6-13-27-59)60-28-14-7-15-29-60;1-50-24-35-61(36-25-50)77(62-37-26-51(2)27-38-62)65-42-45-72-68(48-65)67-47-64(76(59-20-12-6-13-21-59)60-22-14-7-15-23-60)41-44-71(67)78(72)63-39-32-53(33-40-63)58-34-43-66(52(3)46-58)54-28-30-56(31-29-54)70-49-69(55-16-8-4-9-17-55)74-73(75-70)57-18-10-5-11-19-57;1-50-24-35-61(36-25-50)77(62-37-26-51(2)27-38-62)65-42-45-72-68(48-65)67-47-64(76(59-20-12-6-13-21-59)60-22-14-7-15-23-60)41-44-71(67)78(72)63-39-32-54(33-40-63)53-28-30-55(31-29-53)66-43-34-58(46-52(66)3)70-49-69(56-16-8-4-9-17-56)74-73(75-70)57-18-10-5-11-19-57/h3*4-49H,1-3H3.

What are the key properties of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine?

9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine has a molecular weight of 3006.83 g/mol, XLogP of 59.32, 36 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine is sourced from PubChem (CID 162219432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).