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

C41H30N4 — CID 130353502

IUPAC9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole
SMILESCc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc(-n2c3ccccc3c3ccccc32)c1C
InChIInChI=1S/C41H30N4/c1-27-28(2)36(45-37-19-11-9-17-34(37)35-18-10-12-20-38(35)45)26-25-33(27)29-21-23-32(24-22-29)41-43-39(30-13-5-3-6-14-30)42-40(44-41)31-15-7-4-8-16-31/h3-26H,1-2H3
InChIKeyIHCJEOQZXCBULX-UHFFFAOYSA-N
MW578.72 g/mol
LogP10.25
Rot. Bonds5

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

9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole (PubChem CID 130353502) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole
PubChem CID130353502
Molecular FormulaC41H30N4
Molecular Weight578.72 g/mol
Exact Mass578.25
IUPAC Name9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole
SMILESCc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc(-n2c3ccccc3c3ccccc32)c1C
InChIInChI=1S/C41H30N4/c1-27-28(2)36(45-37-19-11-9-17-34(37)35-18-10-12-20-38(35)45)26-25-33(27)29-21-23-32(24-22-29)41-43-39(30-13-5-3-6-14-30)42-40(44-41)31-15-7-4-8-16-31/h3-26H,1-2H3
InChIKeyIHCJEOQZXCBULX-UHFFFAOYSA-N
XLogP10.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
1-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 170096979
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903092
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole?
The IUPAC name of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole (CID 130353502) is 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole is Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc(-n2c3ccccc3c3ccccc32)c1C.
What is the InChIKey of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole?
The InChIKey is IHCJEOQZXCBULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4/c1-27-28(2)36(45-37-19-11-9-17-34(37)35-18-10-12-20-38(35)45)26-25-33(27)29-21-23-32(24-22-29)41-43-39(30-13-5-3-6-14-30)42-40(44-41)31-15-7-4-8-16-31/h3-26H,1-2H3.
What are the key properties of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole?
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole has a molecular weight of 578.72 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylphenyl]carbazole is sourced from PubChem (CID 130353502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).