N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine

C52H33NO — CID 176820562

IUPACN,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(ccc6ccccc65)c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H33NO/c1-2-10-34(11-3-1)35-18-20-38(21-19-35)47-30-31-49(51-48-16-8-9-17-50(48)54-52(47)51)53(41-26-28-45-39(32-41)24-22-36-12-4-6-14-43(36)45)42-27-29-46-40(33-42)25-23-37-13-5-7-15-44(37)46/h1-33H
InChIKeyHDFNYGLFGUERGV-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine

N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176820562) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176820562
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(ccc6ccccc65)c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H33NO/c1-2-10-34(11-3-1)35-18-20-38(21-19-35)47-30-31-49(51-48-16-8-9-17-50(48)54-52(47)51)53(41-26-28-45-39(32-41)24-22-36-12-4-6-14-43(36)45)42-27-29-46-40(33-42)25-23-37-13-5-7-15-44(37)46/h1-33H
InChIKeyHDFNYGLFGUERGV-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-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-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821192
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
N-(2,4-diphenylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820607
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953

Frequently Asked Questions

What is the IUPAC name of N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine (CID 176820562) is N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(ccc6ccccc65)c4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is HDFNYGLFGUERGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-10-34(11-3-1)35-18-20-38(21-19-35)47-30-31-49(51-48-16-8-9-17-50(48)54-52(47)51)53(41-26-28-45-39(32-41)24-22-36-12-4-6-14-43(36)45)42-27-29-46-40(33-42)25-23-37-13-5-7-15-44(37)46/h1-33H.
What are the key properties of N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine?
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176820562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).