N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine

C40H25NO — CID 170130871

IUPACN-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
SMILESc1ccc2cc(N(c3cccc4c3ccc3c5ccccc5ccc43)c3cccc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C40H25NO/c1-2-11-28-25-29(21-19-26(28)9-1)41(38-17-8-15-36-35-13-5-6-18-39(35)42-40(36)38)37-16-7-14-31-33-22-20-27-10-3-4-12-30(27)32(33)23-24-34(31)37/h1-25H
InChIKeyVICCWBBOCWGBGG-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine

N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine (PubChem CID 170130871) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
PubChem CID170130871
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
SMILESc1ccc2cc(N(c3cccc4c3ccc3c5ccccc5ccc43)c3cccc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C40H25NO/c1-2-11-28-25-29(21-19-26(28)9-1)41(38-17-8-15-36-35-13-5-6-18-39(35)42-40(36)38)37-16-7-14-31-33-22-20-27-10-3-4-12-30(27)32(33)23-24-34(31)37/h1-25H
InChIKeyVICCWBBOCWGBGG-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'}

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Related Compounds

N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278179
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820677
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
CID 129085297
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine
CID 123258916
N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804116
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708

Frequently Asked Questions

What is the IUPAC name of N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine?
The IUPAC name of N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine (CID 170130871) is N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine?
The canonical SMILES for N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine is c1ccc2cc(N(c3cccc4c3ccc3c5ccccc5ccc43)c3cccc4c3oc3ccccc34)ccc2c1.
What is the InChIKey of N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine?
The InChIKey is VICCWBBOCWGBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-11-28-25-29(21-19-26(28)9-1)41(38-17-8-15-36-35-13-5-6-18-39(35)42-40(36)38)37-16-7-14-31-33-22-20-27-10-3-4-12-30(27)32(33)23-24-34(31)37/h1-25H.
What are the key properties of N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine?
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-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-1-yl-N-naphthalen-2-yldibenzofuran-4-amine is sourced from PubChem (CID 170130871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).