9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole

C118H76N4 — CID 160946049

About 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole

9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole (PubChem CID 160946049) has the molecular formula C118H76N4 and a molecular weight of 1549.93 g/mol. Its IUPAC name is 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole
• PubChem CID: 160946049
• Molecular Formula: C118H76N4
• Molecular Weight: 1549.93 g/mol
• Exact Mass: 1548.61
• IUPAC Name: 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3cc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc4cc23)c1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4cc5c(-c6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc6)cccc5cc34)cc2)cc1
• InChI: InChI=1S/C62H40N2.C56H36N2/c1-3-13-41(14-4-1)45-29-35-61-57(37-45)53-19-7-9-23-59(53)63(61)49-31-25-43(26-32-49)51-21-11-17-47-40-56-48(39-55(47)51)18-12-22-52(56)44-27-33-50(34-28-44)64-60-24-10-8-20-54(60)58-38-46(30-36-62(58)64)42-15-5-2-6-16-42;1-5-25-53-47(19-1)48-20-2-6-26-54(48)57(53)43-31-29-37(30-32-43)45-23-11-16-41-36-52-42(35-51(41)45)17-12-24-46(52)40-15-9-13-38(33-40)39-14-10-18-44(34-39)58-55-27-7-3-21-49(55)50-22-4-8-28-56(50)58/h1-40H;1-36H
• InChIKey: SVCUMVLXSLGVLP-UHFFFAOYSA-N
• XLogP: 32.04
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1549.93
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole (CID 160946049) is 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3cc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc4cc23)c1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4cc5c(-c6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc6)cccc5cc34)cc2)cc1.

What is the InChIKey of 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole?

The InChIKey is SVCUMVLXSLGVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2.C56H36N2/c1-3-13-41(14-4-1)45-29-35-61-57(37-45)53-19-7-9-23-59(53)63(61)49-31-25-43(26-32-49)51-21-11-17-47-40-56-48(39-55(47)51)18-12-22-52(56)44-27-33-50(34-28-44)64-60-24-10-8-20-54(60)58-38-46(30-36-62(58)64)42-15-5-2-6-16-42;1-5-25-53-47(19-1)48-20-2-6-26-54(48)57(53)43-31-29-37(30-32-43)45-23-11-16-41-36-52-42(35-51(41)45)17-12-24-46(52)40-15-9-13-38(33-40)39-14-10-18-44(34-39)58-55-27-7-3-21-49(55)50-22-4-8-28-56(50)58/h1-40H;1-36H.

What are the key properties of 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole?

9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole has a molecular weight of 1549.93 g/mol, XLogP of 32.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole is sourced from PubChem (CID 160946049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).