9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine

C124H93N5 — CID 159761391

About 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine

9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 159761391) has the molecular formula C124H93N5 and a molecular weight of 1653.14 g/mol. Its IUPAC name is 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine
• PubChem CID: 159761391
• Molecular Formula: C124H93N5
• Molecular Weight: 1653.14 g/mol
• Exact Mass: 1651.74
• IUPAC Name: 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine
• SMILES: CC(C)(C)c1ccc2c(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(C)cc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
• InChI: InChI=1S/C72H55N3.C52H38N2/c1-72(2,3)54-39-44-64-67(47-54)71(52-35-33-51(34-36-52)50-21-9-4-10-22-50)63-32-20-19-31-62(63)70(64)53-37-40-59(41-38-53)75-68-45-42-60(73(55-23-11-5-12-24-55)56-25-13-6-14-26-56)48-65(68)66-49-61(43-46-69(66)75)74(57-27-15-7-16-28-57)58-29-17-8-18-30-58;1-35-33-50(36(2)32-46(35)52-44-27-14-12-25-42(44)51(37-18-6-3-7-19-37)43-26-13-15-28-45(43)52)54-48-29-17-16-24-41(48)47-34-40(30-31-49(47)54)53(38-20-8-4-9-21-38)39-22-10-5-11-23-39/h4-49H,1-3H3;3-34H,1-2H3
• InChIKey: NEXXDIJBTHYDDM-UHFFFAOYSA-N
• XLogP: 34.84
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1653.14
LogP ≤ 5	34.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine?

The IUPAC name of 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine (CID 159761391) is 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine.

What is the SMILES notation for 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine?

The canonical SMILES for 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine is CC(C)(C)c1ccc2c(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(C)cc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.

What is the InChIKey of 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine?

The InChIKey is NEXXDIJBTHYDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H55N3.C52H38N2/c1-72(2,3)54-39-44-64-67(47-54)71(52-35-33-51(34-36-52)50-21-9-4-10-22-50)63-32-20-19-31-62(63)70(64)53-37-40-59(41-38-53)75-68-45-42-60(73(55-23-11-5-12-24-55)56-25-13-6-14-26-56)48-65(68)66-49-61(43-46-69(66)75)74(57-27-15-7-16-28-57)58-29-17-8-18-30-58;1-35-33-50(36(2)32-46(35)52-44-27-14-12-25-42(44)51(37-18-6-3-7-19-37)43-26-13-15-28-45(43)52)54-48-29-17-16-24-41(48)47-34-40(30-31-49(47)54)53(38-20-8-4-9-21-38)39-22-10-5-11-23-39/h4-49H,1-3H3;3-34H,1-2H3.

What are the key properties of 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine?

9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 1653.14 g/mol, XLogP of 34.84, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 159761391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).