N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

C48H31NO — CID 170137080

IUPACN-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-2-12-32(13-3-1)37-15-6-7-16-38(37)34-22-25-35(26-23-34)49(36-27-29-44-43-20-10-11-21-47(43)50-48(44)30-36)46-31-45-39-17-5-4-14-33(39)24-28-41(45)40-18-8-9-19-42(40)46/h1-31H
InChIKeyUUPGSZOZGIAJCW-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 170137080) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID170137080
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-2-12-32(13-3-1)37-15-6-7-16-38(37)34-22-25-35(26-23-34)49(36-27-29-44-43-20-10-11-21-47(43)50-48(44)30-36)46-31-45-39-17-5-4-14-33(39)24-28-41(45)40-18-8-9-19-42(40)46/h1-31H
InChIKeyUUPGSZOZGIAJCW-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-chrysen-3-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137454
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589618
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170066113
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
CID 170133721
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817

Frequently Asked Questions

What is the IUPAC name of N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 170137080) is N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4c5ccccc5ccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is UUPGSZOZGIAJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-12-32(13-3-1)37-15-6-7-16-38(37)34-22-25-35(26-23-34)49(36-27-29-44-43-20-10-11-21-47(43)50-48(44)30-36)46-31-45-39-17-5-4-14-33(39)24-28-41(45)40-18-8-9-19-42(40)46/h1-31H.
What are the key properties of N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-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-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 170137080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).