N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine

C44H29NO — CID 177081030

IUPACN-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C44H29NO/c1-3-11-30(12-4-1)38-25-23-35(28-40(38)31-13-5-2-6-14-31)45(36-24-26-44-42(29-36)39-17-9-10-18-43(39)46-44)34-22-21-33-20-19-32-15-7-8-16-37(32)41(33)27-34/h1-29H
InChIKeyHBHWPKJEPURQKO-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine

N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine (PubChem CID 177081030) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
PubChem CID177081030
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C44H29NO/c1-3-11-30(12-4-1)38-25-23-35(28-40(38)31-13-5-2-6-14-31)45(36-24-26-44-42(29-36)39-17-9-10-18-43(39)46-44)34-22-21-33-20-19-32-15-7-8-16-37(32)41(33)27-34/h1-29H
InChIKeyHBHWPKJEPURQKO-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-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-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170138112
N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766371
N-[4-(3,4-diphenylphenyl)-3-phenylphenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766295
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-2-amine
CID 170041268
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766345
N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine
CID 176821326
N-chrysen-3-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137454
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
N-[4-(2,4-diphenylphenyl)phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766273
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine (CID 177081030) is N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine?
The InChIKey is HBHWPKJEPURQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-11-30(12-4-1)38-25-23-35(28-40(38)31-13-5-2-6-14-31)45(36-24-26-44-42(29-36)39-17-9-10-18-43(39)46-44)34-22-21-33-20-19-32-15-7-8-16-37(32)41(33)27-34/h1-29H.
What are the key properties of N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine?
N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine is sourced from PubChem (CID 177081030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).