N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine

C48H37NO2 — CID 155440781

About N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine

N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155440781) has the molecular formula C48H37NO2 and a molecular weight of 659.83 g/mol. Its IUPAC name is N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

• Compound Name: N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine
• PubChem CID: 155440781
• Molecular Formula: C48H37NO2
• Molecular Weight: 659.83 g/mol
• Exact Mass: 659.28
• IUPAC Name: N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine
• SMILES: CC1CC=Cc2oc3c(N(c4cccc(C5=CC=CCC5)c4)c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cccc3c2C1
• InChI: InChI=1S/C48H37NO2/c1-31-14-10-26-44-40(28-31)39-24-12-25-42(48(39)50-44)49(35-20-11-19-34(29-35)32-15-4-2-5-16-32)43-30-41-46-36(33-17-6-3-7-18-33)23-13-27-45(46)51-47(41)38-22-9-8-21-37(38)43/h2-4,6-13,15,17-27,29-31H,5,14,16,28H2,1H3
• InChIKey: KXQDDHMUNZYSGN-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.83
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine?

The IUPAC name of N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine (CID 155440781) is N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine.

What is the SMILES notation for N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine?

The canonical SMILES for N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine is CC1CC=Cc2oc3c(N(c4cccc(C5=CC=CCC5)c4)c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cccc3c2C1.

What is the InChIKey of N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine?

The InChIKey is KXQDDHMUNZYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NO2/c1-31-14-10-26-44-40(28-31)39-24-12-25-42(48(39)50-44)49(35-20-11-19-34(29-35)32-15-4-2-5-16-32)43-30-41-46-36(33-17-6-3-7-18-33)23-13-27-45(46)51-47(41)38-22-9-8-21-37(38)43/h2-4,6-13,15,17-27,29-31H,5,14,16,28H2,1H3.

What are the key properties of N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine?

N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 659.83 g/mol, XLogP of 13.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155440781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).