3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine

C130H90N6 — CID 161188379

About 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine

3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine (PubChem CID 161188379) has the molecular formula C130H90N6 and a molecular weight of 1736.19 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine.

Molecular Properties

• Compound Name: 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
• PubChem CID: 161188379
• Molecular Formula: C130H90N6
• Molecular Weight: 1736.19 g/mol
• Exact Mass: 1734.72
• IUPAC Name: 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
• SMILES: c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C68H47N3.C62H43N3/c1-6-21-48(22-7-1)49-37-39-50(40-38-49)67-59-33-16-18-35-61(59)68(62-36-19-17-34-60(62)67)51-23-20-32-56(45-51)71-65-43-41-57(69(52-24-8-2-9-25-52)53-26-10-3-11-27-53)46-63(65)64-47-58(42-44-66(64)71)70(54-28-12-4-13-29-54)55-30-14-5-15-31-55;1-6-21-44(22-7-1)61-53-33-16-18-35-55(53)62(56-36-19-17-34-54(56)61)45-23-20-32-50(41-45)65-59-39-37-51(63(46-24-8-2-9-25-46)47-26-10-3-11-27-47)42-57(59)58-43-52(38-40-60(58)65)64(48-28-12-4-13-29-48)49-30-14-5-15-31-49/h1-47H;1-43H
• InChIKey: UTJSUDVWQYQPDB-UHFFFAOYSA-N
• XLogP: 36.39
• TPSA: 22.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1736.19
LogP ≤ 5	36.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine?

The IUPAC name of 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine (CID 161188379) is 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine.

What is the SMILES notation for 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine?

The canonical SMILES for 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine is c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c4)c4ccccc34)cc2)cc1.

What is the InChIKey of 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine?

The InChIKey is UTJSUDVWQYQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N3.C62H43N3/c1-6-21-48(22-7-1)49-37-39-50(40-38-49)67-59-33-16-18-35-61(59)68(62-36-19-17-34-60(62)67)51-23-20-32-56(45-51)71-65-43-41-57(69(52-24-8-2-9-25-52)53-26-10-3-11-27-53)46-63(65)64-47-58(42-44-66(64)71)70(54-28-12-4-13-29-54)55-30-14-5-15-31-55;1-6-21-44(22-7-1)61-53-33-16-18-35-55(53)62(56-36-19-17-34-54(56)61)45-23-20-32-50(41-45)65-59-39-37-51(63(46-24-8-2-9-25-46)47-26-10-3-11-27-47)42-57(59)58-43-52(38-40-60(58)65)64(48-28-12-4-13-29-48)49-30-14-5-15-31-49/h1-47H;1-43H.

What are the key properties of 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine?

3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine has a molecular weight of 1736.19 g/mol, XLogP of 36.39, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 161188379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).