2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile

C69H48N4 — CID 166964836

IUPAC2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile
SMILESCC1(C)c2cc(N(c3ccccc3)c3c(C#N)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3ccc(N(c4ccccc4)c4c(C#N)cc(-c5ccccc5)cc4-c4ccccc4)cc3cc21
InChIInChI=1S/C69H48N4/c1-69(2)65-43-54-39-59(72(57-29-17-7-18-30-57)67-55(45-70)37-52(47-21-9-3-10-22-47)41-62(67)49-25-13-5-14-26-49)34-33-51(54)40-64(65)61-36-35-60(44-66(61)69)73(58-31-19-8-20-32-58)68-56(46-71)38-53(48-23-11-4-12-24-48)42-63(68)50-27-15-6-16-28-50/h3-44H,1-2H3
InChIKeyHIICHLATMFEEIC-UHFFFAOYSA-N
MW933.17 g/mol
LogP18.50
Rot. Bonds10

About 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile

2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile (PubChem CID 166964836) has the molecular formula C69H48N4 and a molecular weight of 933.17 g/mol. Its IUPAC name is 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile.

Molecular Properties

Compound Name2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile
PubChem CID166964836
Molecular FormulaC69H48N4
Molecular Weight933.17 g/mol
Exact Mass932.39
IUPAC Name2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile
SMILESCC1(C)c2cc(N(c3ccccc3)c3c(C#N)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3ccc(N(c4ccccc4)c4c(C#N)cc(-c5ccccc5)cc4-c4ccccc4)cc3cc21
InChIInChI=1S/C69H48N4/c1-69(2)65-43-54-39-59(72(57-29-17-7-18-30-57)67-55(45-70)37-52(47-21-9-3-10-22-47)41-62(67)49-25-13-5-14-26-49)34-33-51(54)40-64(65)61-36-35-60(44-66(61)69)73(58-31-19-8-20-32-58)68-56(46-71)38-53(48-23-11-4-12-24-48)42-63(68)50-27-15-6-16-28-50/h3-44H,1-2H3
InChIKeyHIICHLATMFEEIC-UHFFFAOYSA-N
XLogP18.50
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.17
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-[8-(N-[2-cyano-6-[(3E)-hexa-1,3-dien-3-yl]-4-phenylphenyl]anilino)-11,11-dimethylbenzo[b]fluoren-2-yl]anilino)-3,5-diphenylbenzonitrile
CID 167052041
2-(N-[2-(2-cyano-N-(2-fluoro-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]-2-fluoro-4,6-diphenylanilino)benzonitrile
CID 163713323
2-(N-[8-(N-[2-[(3E)-hexa-1,3-dien-3-yl]-6-isocyano-4-phenylphenyl]anilino)-11,11-dimethylbenzo[b]fluoren-2-yl]anilino)-3,5-diphenylbenzonitrile
CID 164758482
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
4-(N-[2-(N-(4-isocyanophenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]-4-phenylanilino)benzonitrile
CID 140926370
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008
2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
CID 122416670
3-[N-(9,9-dimethylfluoren-2-yl)-3-(N-(6,7-diphenylnaphthalen-2-yl)-4-fluoroanilino)anilino]-5-(N-(4-fluorophenyl)anilino)benzonitrile
CID 146601456
11,11-dimethyl-3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[a]fluorene-3,9-diamine;9-N-(2-fluoro-4,6-diphenylphenyl)-11,11-dimethyl-3-N-(2-methyl-4,6-diphenylphenyl)-3-N,9-N-diphenylbenzo[a]fluorene-3,9-diamine;2-(N-[3-(N-(2-isocyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[a]fluoren-9-yl]anilino)-3,5-diphenylbenzonitrile
CID 163473768
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile?
The IUPAC name of 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile (CID 166964836) is 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile.
What is the SMILES notation for 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile?
The canonical SMILES for 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile is CC1(C)c2cc(N(c3ccccc3)c3c(C#N)cc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2cc3ccc(N(c4ccccc4)c4c(C#N)cc(-c5ccccc5)cc4-c4ccccc4)cc3cc21.
What is the InChIKey of 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile?
The InChIKey is HIICHLATMFEEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N4/c1-69(2)65-43-54-39-59(72(57-29-17-7-18-30-57)67-55(45-70)37-52(47-21-9-3-10-22-47)41-62(67)49-25-13-5-14-26-49)34-33-51(54)40-64(65)61-36-35-60(44-66(61)69)73(58-31-19-8-20-32-58)68-56(46-71)38-53(48-23-11-4-12-24-48)42-63(68)50-27-15-6-16-28-50/h3-44H,1-2H3.
What are the key properties of 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile?
2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile has a molecular weight of 933.17 g/mol, XLogP of 18.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(N-(2-cyano-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)-3,5-diphenylbenzonitrile is sourced from PubChem (CID 166964836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).