N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine

C40H25NO — CID 170140586

IUPACN-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(N(c2ccc3oc4c5ccccc5ccc4c3c2)c2cccc3c2ccc2c4ccccc4ccc32)cc1
InChIInChI=1S/C40H25NO/c1-2-11-28(12-3-1)41(29-19-24-39-37(25-29)36-21-18-27-10-5-7-14-31(27)40(36)42-39)38-16-8-15-32-34-20-17-26-9-4-6-13-30(26)33(34)22-23-35(32)38/h1-25H
InChIKeyUMEJKELSBLORIW-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine

N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 170140586) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
PubChem CID170140586
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(N(c2ccc3oc4c5ccccc5ccc4c3c2)c2cccc3c2ccc2c4ccccc4ccc32)cc1
InChIInChI=1S/C40H25NO/c1-2-11-28(12-3-1)41(29-19-24-39-37(25-29)36-21-18-27-10-5-7-14-31(27)40(36)42-39)38-16-8-15-32-34-20-17-26-9-4-6-13-30(26)33(34)22-23-35(32)38/h1-25H
InChIKeyUMEJKELSBLORIW-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-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007721
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277148
9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359554
N-phenanthren-1-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]dibenzofuran-2-amine
CID 176820979
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869
N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738912
N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804116
N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 169062757
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994

Frequently Asked Questions

What is the IUPAC name of N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine (CID 170140586) is N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine is c1ccc(N(c2ccc3oc4c5ccccc5ccc4c3c2)c2cccc3c2ccc2c4ccccc4ccc32)cc1.
What is the InChIKey of N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is UMEJKELSBLORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-11-28(12-3-1)41(29-19-24-39-37(25-29)36-21-18-27-10-5-7-14-31(27)40(36)42-39)38-16-8-15-32-34-20-17-26-9-4-6-13-30(26)33(34)22-23-35(32)38/h1-25H.
What are the key properties of N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine?
N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-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-phenylnaphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 170140586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).