N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C48H31NO — CID 170137179

IUPACN-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-2-9-32(10-3-1)33-19-25-38(26-20-33)49(45-14-8-16-47-48(45)43-13-6-7-15-46(43)50-47)39-27-21-34(22-28-39)37-18-17-36-24-29-41-40-12-5-4-11-35(40)23-30-42(41)44(36)31-37/h1-31H
InChIKeyIVQWHOCGBZHFQR-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 170137179) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID170137179
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-2-9-32(10-3-1)33-19-25-38(26-20-33)49(45-14-8-16-47-48(45)43-13-6-7-15-46(43)50-47)39-27-21-34(22-28-39)37-18-17-36-24-29-41-40-12-5-4-11-35(40)23-30-42(41)44(36)31-37/h1-31H
InChIKeyIVQWHOCGBZHFQR-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
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-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810700
N-dibenzofuran-1-yl-N-(4-phenanthren-3-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-3-amine
CID 176765441
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810675
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 167121502
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 170137179) is N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is IVQWHOCGBZHFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-9-32(10-3-1)33-19-25-38(26-20-33)49(45-14-8-16-47-48(45)43-13-6-7-15-46(43)50-47)39-27-21-34(22-28-39)37-18-17-36-24-29-41-40-12-5-4-11-35(40)23-30-42(41)44(36)31-37/h1-31H.
What are the key properties of N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170137179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).