9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole

C102H67N5 — CID 165005814

About 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole

9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole (PubChem CID 165005814) has the molecular formula C102H67N5 and a molecular weight of 1362.69 g/mol. Its IUPAC name is 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
• PubChem CID: 165005814
• Molecular Formula: C102H67N5
• Molecular Weight: 1362.69 g/mol
• Exact Mass: 1361.54
• IUPAC Name: 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C54H35N3.C48H32N2/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)55(49)40-29-25-36(26-30-40)38-33-39(35-42(34-38)57-53-23-11-5-17-47(53)48-18-6-12-24-54(48)57)37-27-31-41(32-28-37)56-51-21-9-3-15-45(51)46-16-4-10-22-52(46)56;1-3-15-33(16-4-1)35-27-36(34-17-5-2-6-18-34)29-37(28-35)38-30-39(49-45-23-11-7-19-41(45)42-20-8-12-24-46(42)49)32-40(31-38)50-47-25-13-9-21-43(47)44-22-10-14-26-48(44)50/h1-35H;1-32H
• InChIKey: IYDZEOLEQAQHJY-UHFFFAOYSA-N
• XLogP: 27.19
• TPSA: 24.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1362.69
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole?

The IUPAC name of 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole (CID 165005814) is 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole.

What is the SMILES notation for 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole?

The canonical SMILES for 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole?

The InChIKey is IYDZEOLEQAQHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.C48H32N2/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)55(49)40-29-25-36(26-30-40)38-33-39(35-42(34-38)57-53-23-11-5-17-47(53)48-18-6-12-24-54(48)57)37-27-31-41(32-28-37)56-51-21-9-3-15-45(51)46-16-4-10-22-52(46)56;1-3-15-33(16-4-1)35-27-36(34-17-5-2-6-18-34)29-37(28-35)38-30-39(49-45-23-11-7-19-41(45)42-20-8-12-24-46(42)49)32-40(31-38)50-47-25-13-9-21-43(47)44-22-10-14-26-48(44)50/h1-35H;1-32H.

What are the key properties of 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole?

9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole has a molecular weight of 1362.69 g/mol, XLogP of 27.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole is sourced from PubChem (CID 165005814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).