9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole

C103H68N2 — CID 166010998

About 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole

9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole (PubChem CID 166010998) has the molecular formula C103H68N2 and a molecular weight of 1333.69 g/mol. Its IUPAC name is 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
• PubChem CID: 166010998
• Molecular Formula: C103H68N2
• Molecular Weight: 1333.69 g/mol
• Exact Mass: 1332.54
• IUPAC Name: 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
• SMILES: c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc3c(c2)-c2cc(-c4ccccc4-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)ccc2C3(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C103H68N2/c1-7-29-69(30-8-1)81-41-19-23-45-85(81)73-52-59-99-92(64-73)93-65-74(86-46-24-20-42-82(86)70-31-9-2-10-32-70)53-60-100(93)104(99)80-56-58-97-91(68-80)90-63-77(51-57-96(90)103(97,78-37-15-5-16-38-78)79-39-17-6-18-40-79)89-49-27-28-50-98(89)105-101-61-54-75(87-47-25-21-43-83(87)71-33-11-3-12-34-71)66-94(101)95-67-76(55-62-102(95)105)88-48-26-22-44-84(88)72-35-13-4-14-36-72/h1-68H
• InChIKey: XBNPFHURAHUAIL-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1333.69
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole?

The IUPAC name of 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole (CID 166010998) is 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole.

What is the SMILES notation for 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole?

The canonical SMILES for 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc3c(c2)-c2cc(-c4ccccc4-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)ccc2C3(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole?

The InChIKey is XBNPFHURAHUAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H68N2/c1-7-29-69(30-8-1)81-41-19-23-45-85(81)73-52-59-99-92(64-73)93-65-74(86-46-24-20-42-82(86)70-31-9-2-10-32-70)53-60-100(93)104(99)80-56-58-97-91(68-80)90-63-77(51-57-96(90)103(97,78-37-15-5-16-38-78)79-39-17-6-18-40-79)89-49-27-28-50-98(89)105-101-61-54-75(87-47-25-21-43-83(87)71-33-11-3-12-34-71)66-94(101)95-67-76(55-62-102(95)105)88-48-26-22-44-84(88)72-35-13-4-14-36-72/h1-68H.

What are the key properties of 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole?

9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole has a molecular weight of 1333.69 g/mol, XLogP of 27.25, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[6-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole is sourced from PubChem (CID 166010998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).