2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile

C58H42N4 — CID 153366425

IUPAC2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccc(-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c(-c3ccccc3C#N)c2)c1
InChIInChI=1S/C58H42N4/c1-36-25-37(2)28-44(27-36)40-17-20-56-51(31-40)48-13-7-9-15-53(48)61(56)55-22-19-42(33-50(55)46-12-6-5-11-43(46)34-59)47-23-24-60-35-58(47)62-54-16-10-8-14-49(54)52-32-41(18-21-57(52)62)45-29-38(3)26-39(4)30-45/h5-33,35H,1-4H3
InChIKeyALTZFDCQANZSDQ-UHFFFAOYSA-N
MW795.00 g/mol
LogP15.05
Rot. Bonds6

About 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile

2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile (PubChem CID 153366425) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile
PubChem CID153366425
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC Name2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccc(-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c(-c3ccccc3C#N)c2)c1
InChIInChI=1S/C58H42N4/c1-36-25-37(2)28-44(27-36)40-17-20-56-51(31-40)48-13-7-9-15-53(48)61(56)55-22-19-42(33-50(55)46-12-6-5-11-43(46)34-59)47-23-24-60-35-58(47)62-54-16-10-8-14-49(54)52-32-41(18-21-57(52)62)45-29-38(3)26-39(4)30-45/h5-33,35H,1-4H3
InChIKeyALTZFDCQANZSDQ-UHFFFAOYSA-N
XLogP15.05
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409327
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544406
2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
CID 139523878
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155279556
2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452378
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409764
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
CID 162614133
2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile (CID 153366425) is 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccc(-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c(-c3ccccc3C#N)c2)c1.
What is the InChIKey of 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile?
The InChIKey is ALTZFDCQANZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-36-25-37(2)28-44(27-36)40-17-20-56-51(31-40)48-13-7-9-15-53(48)61(56)55-22-19-42(33-50(55)46-12-6-5-11-43(46)34-59)47-23-24-60-35-58(47)62-54-16-10-8-14-49(54)52-32-41(18-21-57(52)62)45-29-38(3)26-39(4)30-45/h5-33,35H,1-4H3.
What are the key properties of 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile?
2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile has a molecular weight of 795.00 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile is sourced from PubChem (CID 153366425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).