2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole

C48H35N11 — CID 138579045

IUPAC2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4ccc(-c5cccnc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1
InChIInChI=1S/C48H35N11/c1-28-50-29(2)53-46(52-28)35-17-20-38-39-21-18-36(47-54-30(3)51-31(4)55-47)26-43(39)59(42(38)25-35)41-22-19-34(37-16-11-23-49-27-37)24-40(41)48-57-44(32-12-7-5-8-13-32)56-45(58-48)33-14-9-6-10-15-33/h5-27H,1-4H3
InChIKeyDHCHXRDNOVBLED-UHFFFAOYSA-N
MW765.89 g/mol
LogP9.97
Rot. Bonds7

About 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole

2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole (PubChem CID 138579045) has the molecular formula C48H35N11 and a molecular weight of 765.89 g/mol. Its IUPAC name is 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole.

Molecular Properties

Compound Name2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
PubChem CID138579045
Molecular FormulaC48H35N11
Molecular Weight765.89 g/mol
Exact Mass765.31
IUPAC Name2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4ccc(-c5cccnc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1
InChIInChI=1S/C48H35N11/c1-28-50-29(2)53-46(52-28)35-17-20-38-39-21-18-36(47-54-30(3)51-31(4)55-47)26-43(39)59(42(38)25-35)41-22-19-34(37-16-11-23-49-27-37)24-40(41)48-57-44(32-12-7-5-8-13-32)56-45(58-48)33-14-9-6-10-15-33/h5-27H,1-4H3
InChIKeyDHCHXRDNOVBLED-UHFFFAOYSA-N
XLogP9.97
TPSA133.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.89
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole with MolForge

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579049
2-(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579190
2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579340
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole
CID 138578907
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155232271
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 138579172
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 137414844
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 137421310
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414830
3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161333862

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole?
The IUPAC name of 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole (CID 138579045) is 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole.
What is the SMILES notation for 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole?
The canonical SMILES for 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole is Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4ccc(-c5cccnc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1.
What is the InChIKey of 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole?
The InChIKey is DHCHXRDNOVBLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N11/c1-28-50-29(2)53-46(52-28)35-17-20-38-39-21-18-36(47-54-30(3)51-31(4)55-47)26-43(39)59(42(38)25-35)41-22-19-34(37-16-11-23-49-27-37)24-40(41)48-57-44(32-12-7-5-8-13-32)56-45(58-48)33-14-9-6-10-15-33/h5-27H,1-4H3.
What are the key properties of 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole?
2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole has a molecular weight of 765.89 g/mol, XLogP of 9.97, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole is sourced from PubChem (CID 138579045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).