(Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine

C56H43N3 — CID 176834786

About (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine

(Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine (PubChem CID 176834786) has the molecular formula C56H43N3 and a molecular weight of 757.98 g/mol. Its IUPAC name is (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine
• PubChem CID: 176834786
• Molecular Formula: C56H43N3
• Molecular Weight: 757.98 g/mol
• Exact Mass: 757.35
• IUPAC Name: (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine
• SMILES: CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4ccc(/C(N)=C/C(=N/Cc5ccccc5)c5cccc(-c6cccnc6)c5)c5ccccc45)cc3)c21
• InChI: InChI=1S/C56H43N3/c1-56(2)51-31-28-38-15-6-7-19-45(38)54(51)50-23-11-22-46(55(50)56)40-26-24-39(25-27-40)44-29-30-49(48-21-9-8-20-47(44)48)52(57)34-53(59-35-37-13-4-3-5-14-37)42-17-10-16-41(33-42)43-18-12-32-58-36-43/h3-34,36H,35,57H2,1-2H3/b52-34-,59-53-
• InChIKey: WVKFCUOVYYDGRR-MEVOSMJVSA-N
• XLogP: 13.68
• TPSA: 51.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.98
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine?

The IUPAC name of (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine (CID 176834786) is (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine.

What is the SMILES notation for (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine?

The canonical SMILES for (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine is CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4ccc(/C(N)=C/C(=N/Cc5ccccc5)c5cccc(-c6cccnc6)c5)c5ccccc45)cc3)c21.

What is the InChIKey of (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine?

The InChIKey is WVKFCUOVYYDGRR-MEVOSMJVSA-N. The full InChI is InChI=1S/C56H43N3/c1-56(2)51-31-28-38-15-6-7-19-45(38)54(51)50-23-11-22-46(55(50)56)40-26-24-39(25-27-40)44-29-30-49(48-21-9-8-20-47(44)48)52(57)34-53(59-35-37-13-4-3-5-14-37)42-17-10-16-41(33-42)43-18-12-32-58-36-43/h3-34,36H,35,57H2,1-2H3/b52-34-,59-53-.

What are the key properties of (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine?

(Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine has a molecular weight of 757.98 g/mol, XLogP of 13.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 176834786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).