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

C86H52N6 — CID 167035208

IUPAC4-[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
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c1
InChIInChI=1S/C86H52N6/c87-53-55-35-41-83(91-79-33-17-11-27-67(79)73-51-61(39-45-85(73)91)59-37-43-81(69(49-59)57-19-3-1-4-20-57)89-75-29-13-7-23-63(75)64-24-8-14-30-76(64)89)71(47-55)72-48-56(54-88)36-42-84(72)92-80-34-18-12-28-68(80)74-52-62(40-46-86(74)92)60-38-44-82(70(50-60)58-21-5-2-6-22-58)90-77-31-15-9-25-65(77)66-26-10-16-32-78(66)90/h1-52H
InChIKeyWTAQWAYTULYPRJ-UHFFFAOYSA-N
MW1169.40 g/mol
LogP22.15
Rot. Bonds9

About 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

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 (PubChem CID 167035208) has the molecular formula C86H52N6 and a molecular weight of 1169.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID167035208
Molecular FormulaC86H52N6
Molecular Weight1169.40 g/mol
Exact Mass1168.43
IUPAC Name4-[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
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c1
InChIInChI=1S/C86H52N6/c87-53-55-35-41-83(91-79-33-17-11-27-67(79)73-51-61(39-45-85(73)91)59-37-43-81(69(49-59)57-19-3-1-4-20-57)89-75-29-13-7-23-63(75)64-24-8-14-30-76(64)89)71(47-55)72-48-56(54-88)36-42-84(72)92-80-34-18-12-28-68(80)74-52-62(40-46-86(74)92)60-38-44-82(70(50-60)58-21-5-2-6-22-58)90-77-31-15-9-25-65(77)66-26-10-16-32-78(66)90/h1-52H
InChIKeyWTAQWAYTULYPRJ-UHFFFAOYSA-N
XLogP22.15
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.40
LogP ≤ 522.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-(3,5-difluorophenyl)benzonitrile
CID 164743983
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 164744087
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
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-(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
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673
4-[3-[4-cyano-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 162088321
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 155003380

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is WTAQWAYTULYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N6/c87-53-55-35-41-83(91-79-33-17-11-27-67(79)73-51-61(39-45-85(73)91)59-37-43-81(69(49-59)57-19-3-1-4-20-57)89-75-29-13-7-23-63(75)64-24-8-14-30-76(64)89)71(47-55)72-48-56(54-88)36-42-84(72)92-80-34-18-12-28-68(80)74-52-62(40-46-86(74)92)60-38-44-82(70(50-60)58-21-5-2-6-22-58)90-77-31-15-9-25-65(77)66-26-10-16-32-78(66)90/h1-52H.
What are the key properties of 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?
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 has a molecular weight of 1169.40 g/mol, XLogP of 22.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167035208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).