3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile

C52H32N6 — CID 139303465

IUPAC3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)n3)cc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H32N6/c53-33-34-15-13-20-37(31-34)39-30-29-38(32-48(39)57-45-26-10-7-21-41(45)42-22-8-11-27-46(42)57)51-54-50(36-18-5-2-6-19-36)55-52(56-51)58-47-28-12-9-23-43(47)44-25-14-24-40(49(44)58)35-16-3-1-4-17-35/h1-32H
InChIKeyPEYYNJISJIKYPY-UHFFFAOYSA-N
MW740.87 g/mol
LogP12.61
Rot. Bonds6

About 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile

3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 139303465) has the molecular formula C52H32N6 and a molecular weight of 740.87 g/mol. Its IUPAC name is 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
PubChem CID139303465
Molecular FormulaC52H32N6
Molecular Weight740.87 g/mol
Exact Mass740.27
IUPAC Name3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)n3)cc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H32N6/c53-33-34-15-13-20-37(31-34)39-30-29-38(32-48(39)57-45-26-10-7-21-41(45)42-22-8-11-27-46(42)57)51-54-50(36-18-5-2-6-19-36)55-52(56-51)58-47-28-12-9-23-43(47)44-25-14-24-40(49(44)58)35-16-3-1-4-17-35/h1-32H
InChIKeyPEYYNJISJIKYPY-UHFFFAOYSA-N
XLogP12.61
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 139303341
3-[2-carbazol-9-yl-4-[4-[3-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170136080
3-[4-[3-(2-carbazol-9-ylcarbazol-9-yl)-4-phenylphenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 170097155
3-[3-(3-cyanophenyl)carbazol-9-yl]-4-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003306
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664969
4-carbazol-9-yl-3-[4-[2-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664743
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035606
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]benzonitrile
CID 154603008
3-[3-[4,6-bis[4-(3-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681285
3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 170133983
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297

Frequently Asked Questions

What is the IUPAC name of 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The IUPAC name of 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile (CID 139303465) is 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)n3)cc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The InChIKey is PEYYNJISJIKYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6/c53-33-34-15-13-20-37(31-34)39-30-29-38(32-48(39)57-45-26-10-7-21-41(45)42-22-8-11-27-46(42)57)51-54-50(36-18-5-2-6-19-36)55-52(56-51)58-47-28-12-9-23-43(47)44-25-14-24-40(49(44)58)35-16-3-1-4-17-35/h1-32H.
What are the key properties of 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile?
3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 740.87 g/mol, XLogP of 12.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 139303465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).