2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C68H54N4 — CID 134292609

IUPAC2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4cc(-c5ccncc5)c(-n5c6cc(-c7cc(C)cc(C)c7)ccc6c6ccc(-c7cc(C)cc(C)c7)cc65)cc4C#N)c3c2)c1
InChIInChI=1S/C68H54N4/c1-40-21-41(2)26-53(25-40)49-9-13-58-59-14-10-50(54-27-42(3)22-43(4)28-54)34-65(59)71(64(58)33-49)63-38-62(48-17-19-70-20-18-48)68(37-57(63)39-69)72-66-35-51(55-29-44(5)23-45(6)30-55)11-15-60(66)61-16-12-52(36-67(61)72)56-31-46(7)24-47(8)32-56/h9-38H,1-8H3
InChIKeyYZIAUHJLKBANGL-UHFFFAOYSA-N
MW927.21 g/mol
LogP17.95
Rot. Bonds7

About 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134292609) has the molecular formula C68H54N4 and a molecular weight of 927.21 g/mol. Its IUPAC name is 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134292609
Molecular FormulaC68H54N4
Molecular Weight927.21 g/mol
Exact Mass926.43
IUPAC Name2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4cc(-c5ccncc5)c(-n5c6cc(-c7cc(C)cc(C)c7)ccc6c6ccc(-c7cc(C)cc(C)c7)cc65)cc4C#N)c3c2)c1
InChIInChI=1S/C68H54N4/c1-40-21-41(2)26-53(25-40)49-9-13-58-59-14-10-50(54-27-42(3)22-43(4)28-54)34-65(59)71(64(58)33-49)63-38-62(48-17-19-70-20-18-48)68(37-57(63)39-69)72-66-35-51(55-29-44(5)23-45(6)30-55)11-15-60(66)61-16-12-52(36-67(61)72)56-31-46(7)24-47(8)32-56/h9-38H,1-8H3
InChIKeyYZIAUHJLKBANGL-UHFFFAOYSA-N
XLogP17.95
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.21
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157
2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301885
2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
CID 134295538
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134296295
2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134296340
4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729193
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
2,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292650
2,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(3-isocyano-5-methylphenyl)benzonitrile
CID 157071593
5-[9-[4-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-cyano-5-(4,6-dimethylpyrimidin-2-yl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155217506

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134292609) is 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4cc(-c5ccncc5)c(-n5c6cc(-c7cc(C)cc(C)c7)ccc6c6ccc(-c7cc(C)cc(C)c7)cc65)cc4C#N)c3c2)c1.
What is the InChIKey of 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is YZIAUHJLKBANGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N4/c1-40-21-41(2)26-53(25-40)49-9-13-58-59-14-10-50(54-27-42(3)22-43(4)28-54)34-65(59)71(64(58)33-49)63-38-62(48-17-19-70-20-18-48)68(37-57(63)39-69)72-66-35-51(55-29-44(5)23-45(6)30-55)11-15-60(66)61-16-12-52(36-67(61)72)56-31-46(7)24-47(8)32-56/h9-38H,1-8H3.
What are the key properties of 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 927.21 g/mol, XLogP of 17.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134292609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).