9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole

C94H62N2 — CID 161402260

About 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole

9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole (PubChem CID 161402260) has the molecular formula C94H62N2 and a molecular weight of 1219.54 g/mol. Its IUPAC name is 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
• PubChem CID: 161402260
• Molecular Formula: C94H62N2
• Molecular Weight: 1219.54 g/mol
• Exact Mass: 1218.49
• IUPAC Name: 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)c2)cc1
• InChI: InChI=1S/C50H33N.C44H29N/c1-2-13-34(14-3-1)35-25-27-36(28-26-35)37-29-31-38(32-30-37)49-43-19-4-6-21-45(43)50(46-22-7-5-20-44(46)49)39-15-12-16-40(33-39)51-47-23-10-8-17-41(47)42-18-9-11-24-48(42)51;1-2-14-30(15-3-1)31-16-12-17-32(28-31)43-37-22-4-6-24-39(37)44(40-25-7-5-23-38(40)43)33-18-13-19-34(29-33)45-41-26-10-8-20-35(41)36-21-9-11-27-42(36)45/h1-33H;1-29H
• InChIKey: VUJRIBCNYZWYJT-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.54
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole (CID 161402260) is 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)c2)cc1.

What is the InChIKey of 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole?

The InChIKey is VUJRIBCNYZWYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N.C44H29N/c1-2-13-34(14-3-1)35-25-27-36(28-26-35)37-29-31-38(32-30-37)49-43-19-4-6-21-45(43)50(46-22-7-5-20-44(46)49)39-15-12-16-40(33-39)51-47-23-10-8-17-41(47)42-18-9-11-24-48(42)51;1-2-14-30(15-3-1)31-16-12-17-32(28-31)43-37-22-4-6-24-39(37)44(40-25-7-5-23-38(40)43)33-18-13-19-34(29-33)45-41-26-10-8-20-35(41)36-21-9-11-27-42(36)45/h1-33H;1-29H.

What are the key properties of 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole?

9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole has a molecular weight of 1219.54 g/mol, XLogP of 25.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 161402260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).