5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile

C53H32N6 — CID 140922346

IUPAC5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2)c1
InChIInChI=1S/C53H32N6/c54-33-35-25-36(34-55)27-43(26-35)44-29-45(31-46(30-44)59-49-22-11-10-21-47(49)48-24-23-41(32-50(48)59)38-15-6-2-7-16-38)53-57-51(39-17-8-3-9-18-39)56-52(58-53)42-20-12-19-40(28-42)37-13-4-1-5-14-37/h1-32H
InChIKeyOIFCYFNAXCTLDY-UHFFFAOYSA-N
MW752.88 g/mol
LogP12.71
Rot. Bonds7

About 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile

5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 140922346) has the molecular formula C53H32N6 and a molecular weight of 752.88 g/mol. Its IUPAC name is 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
PubChem CID140922346
Molecular FormulaC53H32N6
Molecular Weight752.88 g/mol
Exact Mass752.27
IUPAC Name5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2)c1
InChIInChI=1S/C53H32N6/c54-33-35-25-36(34-55)27-43(26-35)44-29-45(31-46(30-44)59-49-22-11-10-21-47(49)48-24-23-41(32-50(48)59)38-15-6-2-7-16-38)53-57-51(39-17-8-3-9-18-39)56-52(58-53)42-20-12-19-40(28-42)37-13-4-1-5-14-37/h1-32H
InChIKeyOIFCYFNAXCTLDY-UHFFFAOYSA-N
XLogP12.71
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 161408027
3-[3-[4-[3-(3-cyanophenyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-phenylphenyl)anilino]phenyl]benzonitrile
CID 129225843
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287146
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117
9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087301
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(N-phenylanilino)carbazol-9-yl]phenyl]benzonitrile
CID 140922422
9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163436975
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
5-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 137414622
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 129225847

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile (CID 140922346) is 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2)c1.
What is the InChIKey of 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is OIFCYFNAXCTLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N6/c54-33-35-25-36(34-55)27-43(26-35)44-29-45(31-46(30-44)59-49-22-11-10-21-47(49)48-24-23-41(32-50(48)59)38-15-6-2-7-16-38)53-57-51(39-17-8-3-9-18-39)56-52(58-53)42-20-12-19-40(28-42)37-13-4-1-5-14-37/h1-32H.
What are the key properties of 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile?
5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 752.88 g/mol, XLogP of 12.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-phenylcarbazol-9-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 140922346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).