9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole

C52H36N6 — CID 156679474

IUPAC9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccnc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(C)ccc32)c1
InChIInChI=1S/C52H36N6/c1-33-21-24-47-41(29-33)39-17-9-11-19-45(39)57(47)38-27-28-53-44(32-38)43-31-37(23-26-49(43)58-46-20-12-10-18-40(46)42-30-34(2)22-25-48(42)58)52-55-50(35-13-5-3-6-14-35)54-51(56-52)36-15-7-4-8-16-36/h3-32H,1-2H3
InChIKeyHUYUVYUKAYNXLH-UHFFFAOYSA-N
MW744.90 g/mol
LogP12.75
Rot. Bonds6

About 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole

9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole (PubChem CID 156679474) has the molecular formula C52H36N6 and a molecular weight of 744.90 g/mol. Its IUPAC name is 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole
PubChem CID156679474
Molecular FormulaC52H36N6
Molecular Weight744.90 g/mol
Exact Mass744.30
IUPAC Name9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccnc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(C)ccc32)c1
InChIInChI=1S/C52H36N6/c1-33-21-24-47-41(29-33)39-17-9-11-19-45(39)57(47)38-27-28-53-44(32-38)43-31-37(23-26-49(43)58-46-20-12-10-18-40(46)42-30-34(2)22-25-48(42)58)52-55-50(35-13-5-3-6-14-35)54-51(56-52)36-15-7-4-8-16-36/h3-32H,1-2H3
InChIKeyHUYUVYUKAYNXLH-UHFFFAOYSA-N
XLogP12.75
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158207837
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578581
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole
CID 138579314
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 148758940
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 158497325
9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155463257
2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 137383621
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole
CID 142597636
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928

Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole?
The IUPAC name of 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole (CID 156679474) is 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole.
What is the SMILES notation for 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole?
The canonical SMILES for 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccnc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(C)ccc32)c1.
What is the InChIKey of 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole?
The InChIKey is HUYUVYUKAYNXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6/c1-33-21-24-47-41(29-33)39-17-9-11-19-45(39)57(47)38-27-28-53-44(32-38)43-31-37(23-26-49(43)58-46-20-12-10-18-40(46)42-30-34(2)22-25-48(42)58)52-55-50(35-13-5-3-6-14-35)54-51(56-52)36-15-7-4-8-16-36/h3-32H,1-2H3.
What are the key properties of 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole?
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole has a molecular weight of 744.90 g/mol, XLogP of 12.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole is sourced from PubChem (CID 156679474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).