N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine

C46H29NO — CID 170130661

IUPACN-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5ccc6c7ccccc7ccc6c5c4)c4ccc5oc6ccccc6c5c4)cc3)ccc2c1
InChIInChI=1S/C46H29NO/c1-2-9-34-27-35(14-13-30(34)7-1)31-15-20-36(21-16-31)47(38-23-26-46-44(29-38)42-11-5-6-12-45(42)48-46)37-22-17-33-19-24-40-39-10-4-3-8-32(39)18-25-41(40)43(33)28-37/h1-29H
InChIKeyXMEUCTRJALTZGT-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine

N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine (PubChem CID 170130661) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
PubChem CID170130661
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5ccc6c7ccccc7ccc6c5c4)c4ccc5oc6ccccc6c5c4)cc3)ccc2c1
InChIInChI=1S/C46H29NO/c1-2-9-34-27-35(14-13-30(34)7-1)31-15-20-36(21-16-31)47(38-23-26-46-44(29-38)42-11-5-6-12-45(42)48-46)37-22-17-33-19-24-40-39-10-4-3-8-32(39)18-25-41(40)43(33)28-37/h1-29H
InChIKeyXMEUCTRJALTZGT-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-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168810112
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769

Frequently Asked Questions

What is the IUPAC name of N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine (CID 170130661) is N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine is c1ccc2cc(-c3ccc(N(c4ccc5ccc6c7ccccc7ccc6c5c4)c4ccc5oc6ccccc6c5c4)cc3)ccc2c1.
What is the InChIKey of N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The InChIKey is XMEUCTRJALTZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-9-34-27-35(14-13-30(34)7-1)31-15-20-36(21-16-31)47(38-23-26-46-44(29-38)42-11-5-6-12-45(42)48-46)37-22-17-33-19-24-40-39-10-4-3-8-32(39)18-25-41(40)43(33)28-37/h1-29H.
What are the key properties of N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-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-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170130661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).