7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine

C80H58N2 — CID 144690387

About 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine

7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 144690387) has the molecular formula C80H58N2 and a molecular weight of 1047.36 g/mol. Its IUPAC name is 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
• PubChem CID: 144690387
• Molecular Formula: C80H58N2
• Molecular Weight: 1047.36 g/mol
• Exact Mass: 1046.46
• IUPAC Name: 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)ccc2-3)cc1
• InChI: InChI=1S/C80H58N2/c1-5-53-30-34-55(35-31-53)58-38-46-77-70(48-58)71-49-59(56-36-32-54(6-2)33-37-56)39-47-78(71)82(77)64-42-45-69-68-44-41-63(51-74(68)80(75(69)52-64,60-22-12-8-13-23-60)61-24-14-9-15-25-61)81(76-29-19-17-26-65(76)57-20-10-7-11-21-57)62-40-43-67-66-27-16-18-28-72(66)79(3,4)73(67)50-62/h5-52H,1-2H2,3-4H3
• InChIKey: CADVHASZPLWJJE-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.36
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine?

The IUPAC name of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine (CID 144690387) is 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine is C=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)ccc2-3)cc1.

What is the InChIKey of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine?

The InChIKey is CADVHASZPLWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H58N2/c1-5-53-30-34-55(35-31-53)58-38-46-77-70(48-58)71-49-59(56-36-32-54(6-2)33-37-56)39-47-78(71)82(77)64-42-45-69-68-44-41-63(51-74(68)80(75(69)52-64,60-22-12-8-13-23-60)61-24-14-9-15-25-61)81(76-29-19-17-26-65(76)57-20-10-7-11-21-57)62-40-43-67-66-27-16-18-28-72(66)79(3,4)73(67)50-62/h5-52H,1-2H2,3-4H3.

What are the key properties of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine?

7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 1047.36 g/mol, XLogP of 21.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144690387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).