9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile

C52H34N6 — CID 174272506

IUPAC9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile
SMILESN#Cc1cccc2c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc3n(-c3ccccc3C3N=C(c4ccccc4)N=C(c4ccccc4)N3)c12
InChIInChI=1S/C52H34N6/c53-33-36-21-14-28-42-48-39(38-26-15-31-45-47(38)40-24-10-12-29-43(40)57(45)37-22-8-3-9-23-37)27-16-32-46(48)58(49(36)42)44-30-13-11-25-41(44)52-55-50(34-17-4-1-5-18-34)54-51(56-52)35-19-6-2-7-20-35/h1-32,52H,(H,54,55,56)
InChIKeyGTASWDAXLURUQR-UHFFFAOYSA-N
MW742.89 g/mol
LogP11.91
Rot. Bonds6

About 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile

9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile (PubChem CID 174272506) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile
PubChem CID174272506
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile
SMILESN#Cc1cccc2c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc3n(-c3ccccc3C3N=C(c4ccccc4)N=C(c4ccccc4)N3)c12
InChIInChI=1S/C52H34N6/c53-33-36-21-14-28-42-48-39(38-26-15-31-45-47(38)40-24-10-12-29-43(40)57(45)37-22-8-3-9-23-37)27-16-32-46(48)58(49(36)42)44-30-13-11-25-41(44)52-55-50(34-17-4-1-5-18-34)54-51(56-52)35-19-6-2-7-20-35/h1-32,52H,(H,54,55,56)
InChIKeyGTASWDAXLURUQR-UHFFFAOYSA-N
XLogP11.91
TPSA70.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 511.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274174
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357386
4-[4-[9-[2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylphenyl]-6,7-dihydrocarbazol-4-yl]carbazol-9-yl]benzonitrile
CID 174270071
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
12-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 136934194
9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962088
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648770

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile?
The IUPAC name of 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile (CID 174272506) is 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile is N#Cc1cccc2c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)cccc3n(-c3ccccc3C3N=C(c4ccccc4)N=C(c4ccccc4)N3)c12.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile?
The InChIKey is GTASWDAXLURUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c53-33-36-21-14-28-42-48-39(38-26-15-31-45-47(38)40-24-10-12-29-43(40)57(45)37-22-8-3-9-23-37)27-16-32-46(48)58(49(36)42)44-30-13-11-25-41(44)52-55-50(34-17-4-1-5-18-34)54-51(56-52)35-19-6-2-7-20-35/h1-32,52H,(H,54,55,56).
What are the key properties of 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile?
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile has a molecular weight of 742.89 g/mol, XLogP of 11.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile is sourced from PubChem (CID 174272506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).