4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

C72H62N4 — CID 134296295

IUPAC4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESCc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C#N)c(-c5ccncc5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1
InChIInChI=1S/C72H62N4/c1-40-25-44(5)69(45(6)26-40)53-13-17-58-59-18-14-54(70-46(7)27-41(2)28-47(70)8)34-64(59)75(63(58)33-53)67-37-57(39-73)62(52-21-23-74-24-22-52)38-68(67)76-65-35-55(71-48(9)29-42(3)30-49(71)10)15-19-60(65)61-20-16-56(36-66(61)76)72-50(11)31-43(4)32-51(72)12/h13-38H,1-12H3
InChIKeyGQUPQLGXRCSIOX-UHFFFAOYSA-N
MW983.32 g/mol
LogP19.18
Rot. Bonds7

About 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (PubChem CID 134296295) has the molecular formula C72H62N4 and a molecular weight of 983.32 g/mol. Its IUPAC name is 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
PubChem CID134296295
Molecular FormulaC72H62N4
Molecular Weight983.32 g/mol
Exact Mass982.50
IUPAC Name4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESCc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C#N)c(-c5ccncc5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1
InChIInChI=1S/C72H62N4/c1-40-25-44(5)69(45(6)26-40)53-13-17-58-59-18-14-54(70-46(7)27-41(2)28-47(70)8)34-64(59)75(63(58)33-53)67-37-57(39-73)62(52-21-23-74-24-22-52)38-68(67)76-65-35-55(71-48(9)29-42(3)30-49(71)10)15-19-60(65)61-20-16-56(36-66(61)76)72-50(11)31-43(4)32-51(72)12/h13-38H,1-12H3
InChIKeyGQUPQLGXRCSIOX-UHFFFAOYSA-N
XLogP19.18
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.32
LogP ≤ 519.18
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
4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
CID 138565580
2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134292609
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427412
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134296333
5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138565570
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
CID 157242392
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138729208
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (CID 134296295) is 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C#N)c(-c5ccncc5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1.
What is the InChIKey of 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The InChIKey is GQUPQLGXRCSIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H62N4/c1-40-25-44(5)69(45(6)26-40)53-13-17-58-59-18-14-54(70-46(7)27-41(2)28-47(70)8)34-64(59)75(63(58)33-53)67-37-57(39-73)62(52-21-23-74-24-22-52)38-68(67)76-65-35-55(71-48(9)29-42(3)30-49(71)10)15-19-60(65)61-20-16-56(36-66(61)76)72-50(11)31-43(4)32-51(72)12/h13-38H,1-12H3.
What are the key properties of 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile has a molecular weight of 983.32 g/mol, XLogP of 19.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134296295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).