N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine

C42H27NO — CID 170137527

IUPACN-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5c6ccccc6ccc45)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C42H27NO/c1-2-9-28(10-3-1)30-12-8-13-32(25-30)43(34-20-24-40-39-15-6-7-16-41(39)44-42(40)27-34)33-19-23-36-31(26-33)18-22-37-35-14-5-4-11-29(35)17-21-38(36)37/h1-27H
InChIKeyCWZZIDUJHKDTST-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

About N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine

N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 170137527) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID170137527
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5c6ccccc6ccc45)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C42H27NO/c1-2-9-28(10-3-1)30-12-8-13-32(25-30)43(34-20-24-40-39-15-6-7-16-41(39)44-42(40)27-34)33-19-23-36-31(26-33)18-22-37-35-14-5-4-11-29(35)17-21-38(36)37/h1-27H
InChIKeyCWZZIDUJHKDTST-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-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

N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137135
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616843
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
N-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087784

Frequently Asked Questions

What is the IUPAC name of N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 170137527) is N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4c(ccc5c6ccccc6ccc45)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is CWZZIDUJHKDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-2-9-28(10-3-1)30-12-8-13-32(25-30)43(34-20-24-40-39-15-6-7-16-41(39)44-42(40)27-34)33-19-23-36-31(26-33)18-22-37-35-14-5-4-11-29(35)17-21-38(36)37/h1-27H.
What are the key properties of N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 561.68 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170137527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).