4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile

C56H38N2 — CID 142604747

IUPAC4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cccc(-c4ccccc4-c4ccccc4)c2-3)cc1
InChIInChI=1S/C56H38N2/c57-39-40-28-32-46(33-29-40)58(47-34-30-42(31-35-47)41-16-5-1-6-17-41)48-36-37-52-54(38-48)56(44-20-9-3-10-21-44,45-22-11-4-12-23-45)53-27-15-26-51(55(52)53)50-25-14-13-24-49(50)43-18-7-2-8-19-43/h1-38H
InChIKeyWHQARIGSPNEOHB-UHFFFAOYSA-N
MW738.93 g/mol
LogP14.39
Rot. Bonds8

About 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile

4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile (PubChem CID 142604747) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile.

Molecular Properties

Compound Name4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile
PubChem CID142604747
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cccc(-c4ccccc4-c4ccccc4)c2-3)cc1
InChIInChI=1S/C56H38N2/c57-39-40-28-32-46(33-29-40)58(47-34-30-42(31-35-47)41-16-5-1-6-17-41)48-36-37-52-54(38-48)56(44-20-9-3-10-21-44,45-22-11-4-12-23-45)53-27-15-26-51(55(52)53)50-25-14-13-24-49(50)43-18-7-2-8-19-43/h1-38H
InChIKeyWHQARIGSPNEOHB-UHFFFAOYSA-N
XLogP14.39
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163464467
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325438
5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538650
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159700387
N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812075
N,5,7,9-tetraphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 163478747

Frequently Asked Questions

What is the IUPAC name of 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile?
The IUPAC name of 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile (CID 142604747) is 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile.
What is the SMILES notation for 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile?
The canonical SMILES for 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile is N#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cccc(-c4ccccc4-c4ccccc4)c2-3)cc1.
What is the InChIKey of 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile?
The InChIKey is WHQARIGSPNEOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c57-39-40-28-32-46(33-29-40)58(47-34-30-42(31-35-47)41-16-5-1-6-17-41)48-36-37-52-54(38-48)56(44-20-9-3-10-21-44,45-22-11-4-12-23-45)53-27-15-26-51(55(52)53)50-25-14-13-24-49(50)43-18-7-2-8-19-43/h1-38H.
What are the key properties of 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile?
4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile has a molecular weight of 738.93 g/mol, XLogP of 14.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[9,9-diphenyl-5-(2-phenylphenyl)fluoren-2-yl]-4-phenylanilino)benzonitrile is sourced from PubChem (CID 142604747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).