4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile

C59H39N3O — CID 149392924

IUPAC4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C59H39N3O/c60-40-41-15-27-51(28-16-41)61(52-29-21-43(22-30-52)42-9-3-1-4-10-42)53-31-23-44(24-32-53)47-19-17-46-18-20-48(38-49(46)37-47)45-25-33-54(34-26-45)62(50-11-5-2-6-12-50)55-35-36-57-56-13-7-8-14-58(56)63-59(57)39-55/h1-39H
InChIKeyYNWRYNUFYNHCOW-UHFFFAOYSA-N
MW805.98 g/mol
LogP16.55
Rot. Bonds9

About 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile

4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile (PubChem CID 149392924) has the molecular formula C59H39N3O and a molecular weight of 805.98 g/mol. Its IUPAC name is 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile.

Molecular Properties

Compound Name4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile
PubChem CID149392924
Molecular FormulaC59H39N3O
Molecular Weight805.98 g/mol
Exact Mass805.31
IUPAC Name4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C59H39N3O/c60-40-41-15-27-51(28-16-41)61(52-29-21-43(22-30-52)42-9-3-1-4-10-42)53-31-23-44(24-32-53)47-19-17-46-18-20-48(38-49(46)37-47)45-25-33-54(34-26-45)62(50-11-5-2-6-12-50)55-35-36-57-56-13-7-8-14-58(56)63-59(57)39-55/h1-39H
InChIKeyYNWRYNUFYNHCOW-UHFFFAOYSA-N
XLogP16.55
TPSA43.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile with MolForge

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Related Compounds

4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
CID 71126867
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287

Frequently Asked Questions

What is the IUPAC name of 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile?
The IUPAC name of 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile (CID 149392924) is 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile.
What is the SMILES notation for 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile?
The canonical SMILES for 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile is N#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)cc5)cc4c3)cc2)cc1.
What is the InChIKey of 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile?
The InChIKey is YNWRYNUFYNHCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3O/c60-40-41-15-27-51(28-16-41)61(52-29-21-43(22-30-52)42-9-3-1-4-10-42)53-31-23-44(24-32-53)47-19-17-46-18-20-48(38-49(46)37-47)45-25-33-54(34-26-45)62(50-11-5-2-6-12-50)55-35-36-57-56-13-7-8-14-58(56)63-59(57)39-55/h1-39H.
What are the key properties of 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile?
4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile has a molecular weight of 805.98 g/mol, XLogP of 16.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile is sourced from PubChem (CID 149392924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).