N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine

C40H25NO — CID 170140340

IUPACN-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1
InChIInChI=1S/C40H25NO/c1-2-12-28(13-3-1)41(29-20-23-38-36(24-29)40-31-15-7-5-11-27(31)19-22-39(40)42-38)37-25-35-30-14-6-4-10-26(30)18-21-33(35)32-16-8-9-17-34(32)37/h1-25H
InChIKeyXMIMWOAYIBAOOO-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine

N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 170140340) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
PubChem CID170140340
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1
InChIInChI=1S/C40H25NO/c1-2-12-28(13-3-1)41(29-20-23-38-36(24-29)40-31-15-7-5-11-27(31)19-22-39(40)42-38)37-25-35-30-14-6-4-10-26(30)18-21-33(35)32-16-8-9-17-34(32)37/h1-25H
InChIKeyXMIMWOAYIBAOOO-UHFFFAOYSA-N
XLogP11.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.67
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-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-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

11-N,25-N-di(phenanthren-3-yl)-11-N,25-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 148742406
N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 158655750
N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170140586
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
N-phenanthren-9-yl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)naphtho[2,1-b][1]benzofuran-10-amine;N-phenyl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
CID 157491247
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600
N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 170140481
10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284135
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-phenyl-N-(12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-2-amine
CID 90263852
N-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087562

Frequently Asked Questions

What is the IUPAC name of N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine (CID 170140340) is N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine is c1ccc(N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cc3c4ccccc4ccc3c3ccccc23)cc1.
What is the InChIKey of N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is XMIMWOAYIBAOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-12-28(13-3-1)41(29-20-23-38-36(24-29)40-31-15-7-5-11-27(31)19-22-39(40)42-38)37-25-35-30-14-6-4-10-26(30)18-21-33(35)32-16-8-9-17-34(32)37/h1-25H.
What are the key properties of N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 535.65 g/mol, XLogP of 11.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 170140340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).