N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine

C67H52N2 — CID 177287644

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 177287644) has the molecular formula C67H52N2 and a molecular weight of 885.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 177287644
• Molecular Formula: C67H52N2
• Molecular Weight: 885.17 g/mol
• Exact Mass: 884.41
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
• SMILES: Cc1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)ccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1
• InChI: InChI=1S/C67H52N2/c1-43-36-49(68(50-30-34-56-54-22-12-15-25-60(54)66(2,3)62(56)41-50)51-31-35-57-55-23-13-16-26-61(55)67(4,5)63(57)42-51)29-33-53(43)46-28-32-59-58-24-14-17-27-64(58)69(65(59)40-46)52-38-47(44-18-8-6-9-19-44)37-48(39-52)45-20-10-7-11-21-45/h6-42H,1-5H3
• InChIKey: IYBRILDXLXXYGN-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.17
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine (CID 177287644) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine is Cc1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)ccc1-c1ccc2c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is IYBRILDXLXXYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N2/c1-43-36-49(68(50-30-34-56-54-22-12-15-25-60(54)66(2,3)62(56)41-50)51-31-35-57-55-23-13-16-26-61(55)67(4,5)63(57)42-51)29-33-53(43)46-28-32-59-58-24-14-17-27-64(58)69(65(59)40-46)52-38-47(44-18-8-6-9-19-44)37-48(39-52)45-20-10-7-11-21-45/h6-42H,1-5H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 885.17 g/mol, XLogP of 18.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 177287644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).