5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline

C72H54N2 — CID 139322280

IUPAC5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
SMILESC1=CC(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)CC=C1c1ccccc1
InChIInChI=1S/C72H54N2/c1-7-19-53(20-8-1)59-31-41-65(42-32-59)73(66-43-33-60(34-44-66)54-21-9-2-10-22-54)71-51-63(57-27-15-5-16-28-57)39-49-69(71)70-50-40-64(58-29-17-6-18-30-58)52-72(70)74(67-45-35-61(36-46-67)55-23-11-3-12-24-55)68-47-37-62(38-48-68)56-25-13-4-14-26-56/h1-47,49-52,68H,48H2
InChIKeySGKINTRVZIYXNP-UHFFFAOYSA-N
MW947.24 g/mol
LogP19.71
Rot. Bonds13

About 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline

5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline (PubChem CID 139322280) has the molecular formula C72H54N2 and a molecular weight of 947.24 g/mol. Its IUPAC name is 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline.

Molecular Properties

Compound Name5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
PubChem CID139322280
Molecular FormulaC72H54N2
Molecular Weight947.24 g/mol
Exact Mass946.43
IUPAC Name5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
SMILESC1=CC(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)CC=C1c1ccccc1
InChIInChI=1S/C72H54N2/c1-7-19-53(20-8-1)59-31-41-65(42-32-59)73(66-43-33-60(34-44-66)54-21-9-2-10-22-54)71-51-63(57-27-15-5-16-28-57)39-49-69(71)70-50-40-64(58-29-17-6-18-30-58)52-72(70)74(67-45-35-61(36-46-67)55-23-11-3-12-24-55)68-47-37-62(38-48-68)56-25-13-4-14-26-56/h1-47,49-52,68H,48H2
InChIKeySGKINTRVZIYXNP-UHFFFAOYSA-N
XLogP19.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.24
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
1-N,3-N-bis(2-methyl-4-phenylphenyl)-3-N-(4-phenylcyclohexa-2,4-dien-1-yl)-1-N-(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 139540997
N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine
CID 153357645
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167253427
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-yl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167262278
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoreno[4,3-b][1]benzothiol-1-amine
CID 145021150
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
3-[2-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]phenyl]benzonitrile
CID 122431693
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 163641907

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline?
The IUPAC name of 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline (CID 139322280) is 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline.
What is the SMILES notation for 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline?
The canonical SMILES for 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline is C1=CC(N(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)CC=C1c1ccccc1.
What is the InChIKey of 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline?
The InChIKey is SGKINTRVZIYXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N2/c1-7-19-53(20-8-1)59-31-41-65(42-32-59)73(66-43-33-60(34-44-66)54-21-9-2-10-22-54)71-51-63(57-27-15-5-16-28-57)39-49-69(71)70-50-40-64(58-29-17-6-18-30-58)52-72(70)74(67-45-35-61(36-46-67)55-23-11-3-12-24-55)68-47-37-62(38-48-68)56-25-13-4-14-26-56/h1-47,49-52,68H,48H2.
What are the key properties of 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline?
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline has a molecular weight of 947.24 g/mol, XLogP of 19.71, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline is sourced from PubChem (CID 139322280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).