N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine

C41H26N2O — CID 163828900

IUPACN-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2cc3oc4ccccc4c3cn2)cc1
InChIInChI=1S/C41H26N2O/c1-2-9-32(10-3-1)43(40-25-39-37(26-42-40)35-12-6-7-13-38(35)44-39)33-22-20-27(21-23-33)31-19-16-29-15-18-30-17-14-28-8-4-5-11-34(28)41(30)36(29)24-31/h1-26H
InChIKeyOBYNHLDNCGLDRK-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.58
Rot. Bonds4

About N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine (PubChem CID 163828900) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
PubChem CID163828900
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2cc3oc4ccccc4c3cn2)cc1
InChIInChI=1S/C41H26N2O/c1-2-9-32(10-3-1)43(40-25-39-37(26-42-40)35-12-6-7-13-38(35)44-39)33-22-20-27(21-23-33)31-19-16-29-15-18-30-17-14-28-8-4-5-11-34(28)41(30)36(29)24-31/h1-26H
InChIKeyOBYNHLDNCGLDRK-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-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-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

5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(4-phenylphenyl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813341
N-dibenzofuran-3-yl-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)pyridin-2-amine
CID 148819210
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridin-3-amine
CID 168738145
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
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813141
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-di(phenanthren-2-yl)-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine
CID 164812994
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167181669
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
CID 164813223
4-dibenzofuran-2-yl-N-(4-naphtho[2,1-g][1,3]benzoxazol-2-ylphenyl)-N-phenylaniline
CID 177119854

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine (CID 163828900) is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine is c1ccc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2cc3oc4ccccc4c3cn2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?
The InChIKey is OBYNHLDNCGLDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-9-32(10-3-1)43(40-25-39-37(26-42-40)35-12-6-7-13-38(35)44-39)33-22-20-27(21-23-33)31-19-16-29-15-18-30-17-14-28-8-4-5-11-34(28)41(30)36(29)24-31/h1-26H.
What are the key properties of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-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-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine is sourced from PubChem (CID 163828900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).