9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine

C66H48N2 — CID 134507447

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine (PubChem CID 134507447) has the molecular formula C66H48N2 and a molecular weight of 869.12 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine
• PubChem CID: 134507447
• Molecular Formula: C66H48N2
• Molecular Weight: 869.12 g/mol
• Exact Mass: 868.38
• IUPAC Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccccc5)C(c5ccccc5)(c5ccccc5)c5ccccc5-4)cc3)cc21
• InChI: InChI=1S/C66H48N2/c1-65(2)59-29-17-15-27-55(59)56-41-40-54(44-61(56)65)67(52-36-31-46(32-37-52)45-19-7-3-8-20-45)53-38-33-47(34-39-53)48-35-42-62-58(43-48)63-57-28-16-18-30-60(57)66(49-21-9-4-10-22-49,50-23-11-5-12-24-50)64(63)68(62)51-25-13-6-14-26-51/h3-44H,1-2H3
• InChIKey: MSUQDRXMJSDGTK-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.12
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine (CID 134507447) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccccc5)C(c5ccccc5)(c5ccccc5)c5ccccc5-4)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine?

The InChIKey is MSUQDRXMJSDGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2/c1-65(2)59-29-17-15-27-55(59)56-41-40-54(44-61(56)65)67(52-36-31-46(32-37-52)45-19-7-3-8-20-45)53-38-33-47(34-39-53)48-35-42-62-58(43-48)63-57-28-16-18-30-60(57)66(49-21-9-4-10-22-49,50-23-11-5-12-24-50)64(63)68(62)51-25-13-6-14-26-51/h3-44H,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine has a molecular weight of 869.12 g/mol, XLogP of 17.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 134507447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).