9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine

C63H52N2 — CID 171416432

About 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine (PubChem CID 171416432) has the molecular formula C63H52N2 and a molecular weight of 837.12 g/mol. Its IUPAC name is 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine
• PubChem CID: 171416432
• Molecular Formula: C63H52N2
• Molecular Weight: 837.12 g/mol
• Exact Mass: 836.41
• IUPAC Name: 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6-c6ccccc6)cc5)C=CCCC4)cc3)ccc2-c2c(-c3ccccc3)cccc21
• InChI: InChI=1S/C63H52N2/c1-62(2)58-31-20-30-56(47-23-10-4-11-24-47)61(58)57-42-41-54(45-59(57)62)64(50-25-12-5-13-26-50)52-37-33-48(34-38-52)63(43-18-7-19-44-63)49-35-39-53(40-36-49)65(51-27-14-6-15-28-51)60-32-17-16-29-55(60)46-21-8-3-9-22-46/h3-6,8-18,20-43,45H,7,19,44H2,1-2H3
• InChIKey: USMPQOJCVKVKKN-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.12
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine (CID 171416432) is 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6-c6ccccc6)cc5)C=CCCC4)cc3)ccc2-c2c(-c3ccccc3)cccc21.

What is the InChIKey of 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine?

The InChIKey is USMPQOJCVKVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52N2/c1-62(2)58-31-20-30-56(47-23-10-4-11-24-47)61(58)57-42-41-54(45-59(57)62)64(50-25-12-5-13-26-50)52-37-33-48(34-38-52)63(43-18-7-19-44-63)49-35-39-53(40-36-49)65(51-27-14-6-15-28-51)60-32-17-16-29-55(60)46-21-8-3-9-22-46/h3-6,8-18,20-43,45H,7,19,44H2,1-2H3.

What are the key properties of 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine?

9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine has a molecular weight of 837.12 g/mol, XLogP of 17.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N,5-diphenyl-N-[4-[1-[4-(N-(2-phenylphenyl)anilino)phenyl]cyclohex-2-en-1-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 171416432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).