4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline

C58H39NO — CID 155105536

IUPAC4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4c4oc(-c6ccccc6)c(-c6ccccc6)c54)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-5-17-41(18-6-1)49-25-13-14-26-50(49)42-31-36-48(37-32-42)59(46-23-11-4-12-24-46)47-34-29-40(30-35-47)45-33-38-52-54(39-45)51-27-15-16-28-53(51)58-56(52)55(43-19-7-2-8-20-43)57(60-58)44-21-9-3-10-22-44/h1-39H
InChIKeyVPJSOGKZHNDAPY-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline

4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 155105536) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID155105536
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC Name4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4c4oc(-c6ccccc6)c(-c6ccccc6)c54)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-5-17-41(18-6-1)49-25-13-14-26-50(49)42-31-36-48(37-32-42)59(46-23-11-4-12-24-46)47-34-29-40(30-35-47)45-33-38-52-54(39-45)51-27-15-16-28-53(51)58-56(52)55(43-19-7-2-8-20-43)57(60-58)44-21-9-3-10-22-44/h1-39H
InChIKeyVPJSOGKZHNDAPY-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.54
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-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
CID 155105445
4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
CID 155105429
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]furan-6-amine
CID 155105509
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine
CID 155105546
4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 155105896
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 155105614
N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155105495
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenanthro[9,10-b]furan-3-yl)aniline
CID 155105507
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline
CID 170254540
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline
CID 155105615

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline (CID 155105536) is 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4c4oc(-c6ccccc6)c(-c6ccccc6)c54)cc3)cc2)cc1.
What is the InChIKey of 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is VPJSOGKZHNDAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-5-17-41(18-6-1)49-25-13-14-26-50(49)42-31-36-48(37-32-42)59(46-23-11-4-12-24-46)47-34-29-40(30-35-47)45-33-38-52-54(39-45)51-27-15-16-28-53(51)58-56(52)55(43-19-7-2-8-20-43)57(60-58)44-21-9-3-10-22-44/h1-39H.
What are the key properties of 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 765.96 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155105536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).