4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile

C90H54N8 — CID 89018423

IUPAC4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile
SMILESCc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C#N)cc3)c(C)c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C#N)cc3)c2)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1
InChIInChI=1S/C90H54N8/c1-55-75(61-27-39-87-79(43-61)71-11-3-7-15-83(71)95(87)67-31-19-57(51-91)20-32-67)47-65(48-76(55)62-28-40-88-80(44-62)72-12-4-8-16-84(72)96(88)68-33-21-58(52-92)22-34-68)66-49-77(63-29-41-89-81(45-63)73-13-5-9-17-85(73)97(89)69-35-23-59(53-93)24-36-69)56(2)78(50-66)64-30-42-90-82(46-64)74-14-6-10-18-86(74)98(90)70-37-25-60(54-94)26-38-70/h3-50H,1-2H3
InChIKeyCWYIMSOORYJYFR-UHFFFAOYSA-N
MW1247.48 g/mol
LogP22.51
Rot. Bonds9

About 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile

4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile (PubChem CID 89018423) has the molecular formula C90H54N8 and a molecular weight of 1247.48 g/mol. Its IUPAC name is 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile
PubChem CID89018423
Molecular FormulaC90H54N8
Molecular Weight1247.48 g/mol
Exact Mass1246.45
IUPAC Name4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile
SMILESCc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C#N)cc3)c(C)c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C#N)cc3)c2)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1
InChIInChI=1S/C90H54N8/c1-55-75(61-27-39-87-79(43-61)71-11-3-7-15-83(71)95(87)67-31-19-57(51-91)20-32-67)47-65(48-76(55)62-28-40-88-80(44-62)72-12-4-8-16-84(72)96(88)68-33-21-58(52-92)22-34-68)66-49-77(63-29-41-89-81(45-63)73-13-5-9-17-85(73)97(89)69-35-23-59(53-93)24-36-69)56(2)78(50-66)64-30-42-90-82(46-64)74-14-6-10-18-86(74)98(90)70-37-25-60(54-94)26-38-70/h3-50H,1-2H3
InChIKeyCWYIMSOORYJYFR-UHFFFAOYSA-N
XLogP22.51
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.48
LogP ≤ 522.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole
CID 157385324
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
CID 122576030

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile (CID 89018423) is 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile is Cc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C#N)cc3)c(C)c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C#N)cc3)c2)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1.
What is the InChIKey of 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile?
The InChIKey is CWYIMSOORYJYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N8/c1-55-75(61-27-39-87-79(43-61)71-11-3-7-15-83(71)95(87)67-31-19-57(51-91)20-32-67)47-65(48-76(55)62-28-40-88-80(44-62)72-12-4-8-16-84(72)96(88)68-33-21-58(52-92)22-34-68)66-49-77(63-29-41-89-81(45-63)73-13-5-9-17-85(73)97(89)69-35-23-59(53-93)24-36-69)56(2)78(50-66)64-30-42-90-82(46-64)74-14-6-10-18-86(74)98(90)70-37-25-60(54-94)26-38-70/h3-50H,1-2H3.
What are the key properties of 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile?
4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile has a molecular weight of 1247.48 g/mol, XLogP of 22.51, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 89018423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).