4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile

C49H29F2N3 — CID 164743983

IUPAC4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C49H29F2N3/c50-36-25-35(26-37(51)29-36)41-24-31(30-52)18-21-47(41)54-46-17-9-6-14-40(46)43-28-34(20-23-49(43)54)33-19-22-48(42(27-33)32-10-2-1-3-11-32)53-44-15-7-4-12-38(44)39-13-5-8-16-45(39)53/h1-29H
InChIKeyVDDCHHFJBVGGHB-UHFFFAOYSA-N
MW697.79 g/mol
LogP13.03
Rot. Bonds5

About 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile

4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile (PubChem CID 164743983) has the molecular formula C49H29F2N3 and a molecular weight of 697.79 g/mol. Its IUPAC name is 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile.

Molecular Properties

Compound Name4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile
PubChem CID164743983
Molecular FormulaC49H29F2N3
Molecular Weight697.79 g/mol
Exact Mass697.23
IUPAC Name4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C49H29F2N3/c50-36-25-35(26-37(51)29-36)41-24-31(30-52)18-21-47(41)54-46-17-9-6-14-40(46)43-28-34(20-23-49(43)54)33-19-22-48(42(27-33)32-10-2-1-3-11-32)53-44-15-7-4-12-38(44)39-13-5-8-16-45(39)53/h1-29H
InChIKeyVDDCHHFJBVGGHB-UHFFFAOYSA-N
XLogP13.03
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.79
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164744087
5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164743999
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164743992
4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile
CID 130440793
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603109
4-[3-(2-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile;4-[3-[4-carbazol-9-yl-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile;4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile;4-[3-[2-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile
CID 165054565
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164744045
4-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164743981

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile?
The IUPAC name of 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile (CID 164743983) is 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile.
What is the SMILES notation for 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile?
The canonical SMILES for 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile?
The InChIKey is VDDCHHFJBVGGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29F2N3/c50-36-25-35(26-37(51)29-36)41-24-31(30-52)18-21-47(41)54-46-17-9-6-14-40(46)43-28-34(20-23-49(43)54)33-19-22-48(42(27-33)32-10-2-1-3-11-32)53-44-15-7-4-12-38(44)39-13-5-8-16-45(39)53/h1-29H.
What are the key properties of 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile?
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile has a molecular weight of 697.79 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile is sourced from PubChem (CID 164743983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).