9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole

C172H110N6 — CID 158633984

About 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole

9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 158633984) has the molecular formula C172H110N6 and a molecular weight of 2260.81 g/mol. Its IUPAC name is 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
• PubChem CID: 158633984
• Molecular Formula: C172H110N6
• Molecular Weight: 2260.81 g/mol
• Exact Mass: 2258.88
• IUPAC Name: 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8ccccc8)cc7)ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)ccc43)c2)cc1
• InChI: InChI=1S/2C86H55N3/c1-4-20-56(21-5-1)60-26-18-28-67(50-60)88-79-36-16-14-30-69(79)75-52-62(40-46-81(75)88)64-42-48-83-77(54-64)78-55-65(63-41-47-82-76(53-63)70-31-15-17-37-80(70)89(82)68-29-19-27-61(51-68)57-22-6-2-7-23-57)43-49-84(78)87(83)66-44-38-59(39-45-66)86-73-34-12-10-32-71(73)85(58-24-8-3-9-25-58)72-33-11-13-35-74(72)86;1-4-18-56(19-5-1)58-32-42-66(43-33-58)87-79-30-16-14-24-69(79)75-52-62(38-48-81(75)87)64-40-50-83-77(54-64)78-55-65(63-39-49-82-76(53-63)70-25-15-17-31-80(70)88(82)67-44-34-59(35-45-67)57-20-6-2-7-21-57)41-51-84(78)89(83)68-46-36-61(37-47-68)86-73-28-12-10-26-71(73)85(60-22-8-3-9-23-60)72-27-11-13-29-74(72)86/h2*1-55H
• InChIKey: HZNQXPOQZDVNNP-UHFFFAOYSA-N
• XLogP: 46.57
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2260.81
LogP ≤ 5	46.57
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 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole?

The IUPAC name of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 158633984) is 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole.

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

The canonical SMILES for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8ccccc8)cc7)ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)ccc43)c2)cc1.

What is the InChIKey of 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole?

The InChIKey is HZNQXPOQZDVNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C86H55N3/c1-4-20-56(21-5-1)60-26-18-28-67(50-60)88-79-36-16-14-30-69(79)75-52-62(40-46-81(75)88)64-42-48-83-77(54-64)78-55-65(63-41-47-82-76(53-63)70-31-15-17-37-80(70)89(82)68-29-19-27-61(51-68)57-22-6-2-7-23-57)43-49-84(78)87(83)66-44-38-59(39-45-66)86-73-34-12-10-32-71(73)85(58-24-8-3-9-25-58)72-33-11-13-35-74(72)86;1-4-18-56(19-5-1)58-32-42-66(43-33-58)87-79-30-16-14-24-69(79)75-52-62(38-48-81(75)87)64-40-50-83-77(54-64)78-55-65(63-39-49-82-76(53-63)70-25-15-17-31-80(70)88(82)67-44-34-59(35-45-67)57-20-6-2-7-21-57)41-51-84(78)89(83)68-46-36-61(37-47-68)86-73-28-12-10-26-71(73)85(60-22-8-3-9-23-60)72-27-11-13-29-74(72)86/h2*1-55H.

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

9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 2260.81 g/mol, XLogP of 46.57, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 158633984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).