N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide

C60H43N3 — CID 176834690

About N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide

N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide (PubChem CID 176834690) has the molecular formula C60H43N3 and a molecular weight of 806.03 g/mol. Its IUPAC name is N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide.

Molecular Properties

• Compound Name: N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide
• PubChem CID: 176834690
• Molecular Formula: C60H43N3
• Molecular Weight: 806.03 g/mol
• Exact Mass: 805.35
• IUPAC Name: N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide
• SMILES: [H]/N=C(/N=C(/C=C/c1ccc(-c2ccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C4(C)C)c3ccccc23)c2ccccc12)c1cccc(-c2cccnc2)c1)c1ccccc1
• InChI: InChI=1S/C60H43N3/c1-60(2)55-32-27-43(37-54(55)58-48-21-7-6-14-39(48)26-33-56(58)60)47-30-31-53(51-24-11-10-23-50(47)51)52-29-25-40(46-20-8-9-22-49(46)52)28-34-57(63-59(61)41-15-4-3-5-16-41)44-18-12-17-42(36-44)45-19-13-35-62-38-45/h3-38,61H,1-2H3/b34-28+,61-59+,63-57-
• InChIKey: CQDJEWOLVBWFFA-GLUJOBDCSA-N
• XLogP: 15.38
• TPSA: 49.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.03
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide?

The IUPAC name of N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide (CID 176834690) is N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide.

What is the SMILES notation for N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide?

The canonical SMILES for N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide is [H]/N=C(/N=C(/C=C/c1ccc(-c2ccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C4(C)C)c3ccccc23)c2ccccc12)c1cccc(-c2cccnc2)c1)c1ccccc1.

What is the InChIKey of N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide?

The InChIKey is CQDJEWOLVBWFFA-GLUJOBDCSA-N. The full InChI is InChI=1S/C60H43N3/c1-60(2)55-32-27-43(37-54(55)58-48-21-7-6-14-39(48)26-33-56(58)60)47-30-31-53(51-24-11-10-23-50(47)51)52-29-25-40(46-20-8-9-22-49(46)52)28-34-57(63-59(61)41-15-4-3-5-16-41)44-18-12-17-42(36-44)45-19-13-35-62-38-45/h3-38,61H,1-2H3/b34-28+,61-59+,63-57-.

What are the key properties of N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide?

N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide has a molecular weight of 806.03 g/mol, XLogP of 15.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-3-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-1-(3-pyridin-3-ylphenyl)prop-2-enylidene]benzenecarboximidamide is sourced from PubChem (CID 176834690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).