4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline

C55H41N — CID 70822819

IUPAC4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
SMILESC1=C(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C55H41N/c1-4-14-40(15-5-1)43-26-34-48(35-27-43)56(49-36-28-44(29-37-49)41-16-6-2-7-17-41)50-38-30-45(31-39-50)42-24-32-47(33-25-42)55(46-18-8-3-9-19-46)53-22-12-10-20-51(53)52-21-11-13-23-54(52)55/h1-30,32-38H,31,39H2
InChIKeyAFXKUBXAKWVGNA-UHFFFAOYSA-N
MW715.94 g/mol
LogP14.28
Rot. Bonds8

About 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline (PubChem CID 70822819) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
PubChem CID70822819
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC Name4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
SMILESC1=C(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)=C1
InChIInChI=1S/C55H41N/c1-4-14-40(15-5-1)43-26-34-48(35-27-43)56(49-36-28-44(29-37-49)41-16-6-2-7-17-41)50-38-30-45(31-39-50)42-24-32-47(33-25-42)55(46-18-8-3-9-19-46)53-22-12-10-20-51(53)52-21-11-13-23-54(52)55/h1-30,32-38H,31,39H2
InChIKeyAFXKUBXAKWVGNA-UHFFFAOYSA-N
XLogP14.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
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-4-amine
CID 121464380
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 160633282
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline (CID 70822819) is 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline is C1=C(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)=C1.
What is the InChIKey of 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is AFXKUBXAKWVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-4-14-40(15-5-1)43-26-34-48(35-27-43)56(49-36-28-44(29-37-49)41-16-6-2-7-17-41)50-38-30-45(31-39-50)42-24-32-47(33-25-42)55(46-18-8-3-9-19-46)53-22-12-10-20-51(53)52-21-11-13-23-54(52)55/h1-30,32-38H,31,39H2.
What are the key properties of 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 715.94 g/mol, XLogP of 14.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 70822819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).