9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine

C47H40N2 — CID 129095683

About 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine

9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine (PubChem CID 129095683) has the molecular formula C47H40N2 and a molecular weight of 632.85 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine
• PubChem CID: 129095683
• Molecular Formula: C47H40N2
• Molecular Weight: 632.85 g/mol
• Exact Mass: 632.32
• IUPAC Name: 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(/C=C/C3C=CC(N(c4ccccc4)c4ccccc4)=CC3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C47H40N2/c1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-25,27-35H,26H2,1-2H3/b24-23+
• InChIKey: HCWXQXRCNHSLSG-WCWDXBQESA-N
• XLogP: 12.77
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.85
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine (CID 129095683) is 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine is CC1(C)c2cc(/C=C/C3C=CC(N(c4ccccc4)c4ccccc4)=CC3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine?

The InChIKey is HCWXQXRCNHSLSG-WCWDXBQESA-N. The full InChI is InChI=1S/C47H40N2/c1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-25,27-35H,26H2,1-2H3/b24-23+.

What are the key properties of 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine?

9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine has a molecular weight of 632.85 g/mol, XLogP of 12.77, 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,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 129095683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).