9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole

C102H64N6 — CID 153162679

About 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole

9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole (PubChem CID 153162679) has the molecular formula C102H64N6 and a molecular weight of 1373.68 g/mol. Its IUPAC name is 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
• PubChem CID: 153162679
• Molecular Formula: C102H64N6
• Molecular Weight: 1373.68 g/mol
• Exact Mass: 1372.52
• IUPAC Name: 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
• SMILES: c1cc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2n3-c2cccc(-n3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C102H64N6/c1-9-40-91-79(32-1)80-33-2-10-41-92(80)103(91)73-26-17-22-65(56-73)69-48-52-99-87(60-69)88-61-70(66-23-18-27-74(57-66)104-93-42-11-3-34-81(93)82-35-4-12-43-94(82)104)49-53-100(88)107(99)77-30-21-31-78(64-77)108-101-54-50-71(67-24-19-28-75(58-67)105-95-44-13-5-36-83(95)84-37-6-14-45-96(84)105)62-89(101)90-63-72(51-55-102(90)108)68-25-20-29-76(59-68)106-97-46-15-7-38-85(97)86-39-8-16-47-98(86)106/h1-64H
• InChIKey: WCQRKFJFLTUQBR-UHFFFAOYSA-N
• XLogP: 26.94
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1373.68
LogP ≤ 5	26.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole?

The IUPAC name of 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole (CID 153162679) is 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole.

What is the SMILES notation for 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole?

The canonical SMILES for 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole is c1cc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2n3-c2cccc(-n3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole?

The InChIKey is WCQRKFJFLTUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H64N6/c1-9-40-91-79(32-1)80-33-2-10-41-92(80)103(91)73-26-17-22-65(56-73)69-48-52-99-87(60-69)88-61-70(66-23-18-27-74(57-66)104-93-42-11-3-34-81(93)82-35-4-12-43-94(82)104)49-53-100(88)107(99)77-30-21-31-78(64-77)108-101-54-50-71(67-24-19-28-75(58-67)105-95-44-13-5-36-83(95)84-37-6-14-45-96(84)105)62-89(101)90-63-72(51-55-102(90)108)68-25-20-29-76(59-68)106-97-46-15-7-38-85(97)86-39-8-16-47-98(86)106/h1-64H.

What are the key properties of 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole?

9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole has a molecular weight of 1373.68 g/mol, XLogP of 26.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole is sourced from PubChem (CID 153162679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).