phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone

C45H37NO — CID 58084760

IUPACphenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc(C=C3CCC(=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)CC3)cc2)cc1
InChIInChI=1S/C45H37NO/c47-45(40-10-4-1-5-11-40)41-28-26-39(27-29-41)38-24-20-36(21-25-38)32-34-16-18-35(19-17-34)33-37-22-30-44(31-23-37)46(42-12-6-2-7-13-42)43-14-8-3-9-15-43/h1-15,20-33H,16-19H2/b34-32-,35-33+
InChIKeyOEOLGIRAZKRKFC-KUPVJLDFSA-N
MW607.80 g/mol
LogP12.10
Rot. Bonds8

About phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone

phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone (PubChem CID 58084760) has the molecular formula C45H37NO and a molecular weight of 607.80 g/mol. Its IUPAC name is phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone
PubChem CID58084760
Molecular FormulaC45H37NO
Molecular Weight607.80 g/mol
Exact Mass607.29
IUPAC Namephenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc(C=C3CCC(=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)CC3)cc2)cc1
InChIInChI=1S/C45H37NO/c47-45(40-10-4-1-5-11-40)41-28-26-39(27-29-41)38-24-20-36(21-25-38)32-34-16-18-35(19-17-34)33-37-22-30-44(31-23-37)46(42-12-6-2-7-13-42)43-14-8-3-9-15-43/h1-15,20-33H,16-19H2/b34-32-,35-33+
InChIKeyOEOLGIRAZKRKFC-KUPVJLDFSA-N
XLogP12.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone
CID 122429601
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
phenyl-(4-phenylphenyl)methanone
CID 155775877
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
CID 122397801
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone?
The IUPAC name of phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone (CID 58084760) is phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone is O=C(c1ccccc1)c1ccc(-c2ccc(C=C3CCC(=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)CC3)cc2)cc1.
What is the InChIKey of phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone?
The InChIKey is OEOLGIRAZKRKFC-KUPVJLDFSA-N. The full InChI is InChI=1S/C45H37NO/c47-45(40-10-4-1-5-11-40)41-28-26-39(27-29-41)38-24-20-36(21-25-38)32-34-16-18-35(19-17-34)33-37-22-30-44(31-23-37)46(42-12-6-2-7-13-42)43-14-8-3-9-15-43/h1-15,20-33H,16-19H2/b34-32-,35-33+.
What are the key properties of phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone?
phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone has a molecular weight of 607.80 g/mol, XLogP of 12.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[4-[[4-[[4-(N-phenylanilino)phenyl]methylidene]cyclohexylidene]methyl]phenyl]phenyl]methanone is sourced from PubChem (CID 58084760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).