N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine

C41H26N2O — CID 163540753

IUPACN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3nccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C41H26N2O/c1-2-8-27(9-3-1)28-18-20-32(21-19-28)43(41-40-36-12-6-7-13-37(36)44-38(40)24-25-42-41)33-22-23-35-31(26-33)17-16-30-15-14-29-10-4-5-11-34(29)39(30)35/h1-26H
InChIKeyFAWXOFMVYVYTGF-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.58
Rot. Bonds4

About N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine

N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine (PubChem CID 163540753) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine.

Molecular Properties

Compound NameN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
PubChem CID163540753
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC NameN-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3nccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C41H26N2O/c1-2-8-27(9-3-1)28-18-20-32(21-19-28)43(41-40-36-12-6-7-13-37(36)44-38(40)24-25-42-41)33-22-23-35-31(26-33)17-16-30-15-14-29-10-4-5-11-34(29)39(30)35/h1-26H
InChIKeyFAWXOFMVYVYTGF-UHFFFAOYSA-N
XLogP11.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166861443
N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166861605
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 163942199
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166860815
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
CID 168737780
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine
CID 168737787
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-1-amine
CID 166861835
N-benzo[c]phenanthren-6-yl-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-1-amine
CID 166861629
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745

Frequently Asked Questions

What is the IUPAC name of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The IUPAC name of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine (CID 163540753) is N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine.
What is the SMILES notation for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The canonical SMILES for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine is c1ccc(-c2ccc(N(c3ccc4c(ccc5ccc6ccccc6c54)c3)c3nccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
The InChIKey is FAWXOFMVYVYTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-8-27(9-3-1)28-18-20-32(21-19-28)43(41-40-36-12-6-7-13-37(36)44-38(40)24-25-42-41)33-22-23-35-31(26-33)17-16-30-15-14-29-10-4-5-11-34(29)39(30)35/h1-26H.
What are the key properties of N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine?
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine has a molecular weight of 562.67 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine is sourced from PubChem (CID 163540753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).