2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile

C83H52N6 — CID 158193540

IUPAC2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
SMILESN#Cc1c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccncc2)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C83H52N6/c84-53-70-79(56-35-41-61(42-36-56)87-73-29-13-7-23-64(73)65-24-8-14-30-74(65)87)81(57-37-43-62(44-38-57)88-75-31-15-9-25-66(75)67-26-10-16-32-76(67)88)83(58-39-45-63(46-40-58)89-77-33-17-11-27-68(77)69-28-12-18-34-78(69)89)82(59-47-49-85-50-48-59)80(70)60-51-71(54-19-3-1-4-20-54)86-72(52-60)55-21-5-2-6-22-55/h1-52H
InChIKeyQCLDYCZQXQXALB-UHFFFAOYSA-N
MW1133.37 g/mol
LogP21.31
Rot. Bonds10

About 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile

2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile (PubChem CID 158193540) has the molecular formula C83H52N6 and a molecular weight of 1133.37 g/mol. Its IUPAC name is 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
PubChem CID158193540
Molecular FormulaC83H52N6
Molecular Weight1133.37 g/mol
Exact Mass1132.43
IUPAC Name2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
SMILESN#Cc1c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccncc2)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C83H52N6/c84-53-70-79(56-35-41-61(42-36-56)87-73-29-13-7-23-64(73)65-24-8-14-30-74(65)87)81(57-37-43-62(44-38-57)88-75-31-15-9-25-66(75)67-26-10-16-32-76(67)88)83(58-39-45-63(46-40-58)89-77-33-17-11-27-68(77)69-28-12-18-34-78(69)89)82(59-47-49-85-50-48-59)80(70)60-51-71(54-19-3-1-4-20-54)86-72(52-60)55-21-5-2-6-22-55/h1-52H
InChIKeyQCLDYCZQXQXALB-UHFFFAOYSA-N
XLogP21.31
TPSA64.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.37
LogP ≤ 521.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile
CID 138675530
4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile
CID 157087342
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile?
The IUPAC name of 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile (CID 158193540) is 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile is N#Cc1c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccncc2)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile?
The InChIKey is QCLDYCZQXQXALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H52N6/c84-53-70-79(56-35-41-61(42-36-56)87-73-29-13-7-23-64(73)65-24-8-14-30-74(65)87)81(57-37-43-62(44-38-57)88-75-31-15-9-25-66(75)67-26-10-16-32-76(67)88)83(58-39-45-63(46-40-58)89-77-33-17-11-27-68(77)69-28-12-18-34-78(69)89)82(59-47-49-85-50-48-59)80(70)60-51-71(54-19-3-1-4-20-54)86-72(52-60)55-21-5-2-6-22-55/h1-52H.
What are the key properties of 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile?
2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile has a molecular weight of 1133.37 g/mol, XLogP of 21.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 158193540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).