N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C75H61NO — CID 155606335

About N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155606335) has the molecular formula C75H61NO and a molecular weight of 992.32 g/mol. Its IUPAC name is N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155606335
• Molecular Formula: C75H61NO
• Molecular Weight: 992.32 g/mol
• Exact Mass: 991.48
• IUPAC Name: N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(C)c1ccc(COc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc43)cc2)cc1
• InChI: InChI=1S/C75H61NO/c1-5-53(4)55-31-29-54(30-32-55)50-77-65-41-35-60(36-42-65)75(61-46-51(2)45-52(3)47-61)71-28-18-16-26-67(71)69-44-40-64(49-73(69)75)76(62-37-33-57(34-38-62)56-19-9-6-10-20-56)63-39-43-68-66-25-15-17-27-70(66)74(72(68)48-63,58-21-11-7-12-22-58)59-23-13-8-14-24-59/h6-49,53H,5,50H2,1-4H3
• InChIKey: WUDMZYKGVSIQEC-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.32
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155606335) is N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(COc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc43)cc2)cc1.

What is the InChIKey of N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is WUDMZYKGVSIQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H61NO/c1-5-53(4)55-31-29-54(30-32-55)50-77-65-41-35-60(36-42-65)75(61-46-51(2)45-52(3)47-61)71-28-18-16-26-67(71)69-44-40-64(49-73(69)75)76(62-37-33-57(34-38-62)56-19-9-6-10-20-56)63-39-43-68-66-25-15-17-27-70(66)74(72(68)48-63,58-21-11-7-12-22-58)59-23-13-8-14-24-59/h6-49,53H,5,50H2,1-4H3.

What are the key properties of N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 992.32 g/mol, XLogP of 19.26, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155606335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).