9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline

C100H80N8 — CID 159131794

About 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline

9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 159131794) has the molecular formula C100H80N8 and a molecular weight of 1393.80 g/mol. Its IUPAC name is 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

• Compound Name: 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline
• PubChem CID: 159131794
• Molecular Formula: C100H80N8
• Molecular Weight: 1393.80 g/mol
• Exact Mass: 1392.65
• IUPAC Name: 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cncc(-c4cncc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c4)c3)cc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cncc(-c3cncc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)c3)c2)cc1
• InChI: InChI=1S/C50H38N4.C50H42N4/c1-31-5-17-47-43(21-31)44-22-32(2)6-18-48(44)53(47)41-13-9-35(10-14-41)37-25-39(29-51-27-37)40-26-38(28-52-30-40)36-11-15-42(16-12-36)54-49-19-7-33(3)23-45(49)46-24-34(4)8-20-50(46)54;1-35-5-17-45(18-6-35)53(46-19-7-36(2)8-20-46)49-25-13-39(14-26-49)41-29-43(33-51-31-41)44-30-42(32-52-34-44)40-15-27-50(28-16-40)54(47-21-9-37(3)10-22-47)48-23-11-38(4)12-24-48/h5-30H,1-4H3;5-34H,1-4H3
• InChIKey: KGZHODGMJFURCP-UHFFFAOYSA-N
• XLogP: 26.56
• TPSA: 67.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1393.80
LogP ≤ 5	26.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline?

The IUPAC name of 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline (CID 159131794) is 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline.

What is the SMILES notation for 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline?

The canonical SMILES for 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cncc(-c4cncc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c4)c3)cc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cncc(-c3cncc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)c3)c2)cc1.

What is the InChIKey of 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline?

The InChIKey is KGZHODGMJFURCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4.C50H42N4/c1-31-5-17-47-43(21-31)44-22-32(2)6-18-48(44)53(47)41-13-9-35(10-14-41)37-25-39(29-51-27-37)40-26-38(28-52-30-40)36-11-15-42(16-12-36)54-49-19-7-33(3)23-45(49)46-24-34(4)8-20-50(46)54;1-35-5-17-45(18-6-35)53(46-19-7-36(2)8-20-46)49-25-13-39(14-26-49)41-29-43(33-51-31-41)44-30-42(32-52-34-44)40-15-27-50(28-16-40)54(47-21-9-37(3)10-22-47)48-23-11-38(4)12-24-48/h5-30H,1-4H3;5-34H,1-4H3.

What are the key properties of 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline?

9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 1393.80 g/mol, XLogP of 26.56, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 159131794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).