N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine

C46H29NO — CID 170140625

IUPACN-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3ccc3c5ccccc5ccc43)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C46H29NO/c1-2-12-33(13-3-1)47(43-18-9-19-44-45(43)42-27-23-31-11-5-7-15-37(31)46(42)48-44)34-24-20-32(21-25-34)36-16-8-17-38-39(36)28-29-40-35-14-6-4-10-30(35)22-26-41(38)40/h1-29H
InChIKeyAGAQNNYKTKFYLY-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine

N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 170140625) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
PubChem CID170140625
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3ccc3c5ccccc5ccc43)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C46H29NO/c1-2-12-33(13-3-1)47(43-18-9-19-44-45(43)42-27-23-31-11-5-7-15-37(31)46(42)48-44)34-24-20-32(21-25-34)36-16-8-17-38-39(36)28-29-40-35-14-6-4-10-30(35)22-26-41(38)40/h1-29H
InChIKeyAGAQNNYKTKFYLY-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
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-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167277337
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 176810422
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737788
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 176587657
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737921
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 170272469
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-(4-naphthalen-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-1-ylphenyl)aniline
CID 167331123
N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739242

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine (CID 170140625) is N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine is c1ccc(N(c2ccc(-c3cccc4c3ccc3c5ccccc5ccc43)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is AGAQNNYKTKFYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-12-33(13-3-1)47(43-18-9-19-44-45(43)42-27-23-31-11-5-7-15-37(31)46(42)48-44)34-24-20-32(21-25-34)36-16-8-17-38-39(36)28-29-40-35-14-6-4-10-30(35)22-26-41(38)40/h1-29H.
What are the key properties of N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 170140625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).