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

C46H32N4 — CID 164971938

IUPAC3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole
SMILESCc1ccccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C46H32N4/c1-31-15-11-14-24-41(31)50-42-27-25-35(32-16-5-2-6-17-32)29-39(42)40-30-36(26-28-43(40)50)37-22-12-13-23-38(37)46-48-44(33-18-7-3-8-19-33)47-45(49-46)34-20-9-4-10-21-34/h2-30H,1H3
InChIKeyVKKAGHFUNRDAAQ-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.61
Rot. Bonds6

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

3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole (PubChem CID 164971938) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole.

Molecular Properties

Compound Name3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole
PubChem CID164971938
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole
SMILESCc1ccccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C46H32N4/c1-31-15-11-14-24-41(31)50-42-27-25-35(32-16-5-2-6-17-32)29-39(42)40-30-36(26-28-43(40)50)37-22-12-13-23-38(37)46-48-44(33-18-7-3-8-19-33)47-45(49-46)34-20-9-4-10-21-34/h2-30H,1H3
InChIKeyVKKAGHFUNRDAAQ-UHFFFAOYSA-N
XLogP11.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]-9-(2-methylphenyl)-6-phenylcarbazole
CID 164971940
9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155636664
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]-9-(2-methylphenyl)carbazole
CID 165004302
3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole
CID 121306297
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
4-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142577614
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyanophenyl]-9-(2-methylphenyl)carbazole
CID 165004301
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
9-[2-[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(3,5-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole
CID 155279508
9-[2-[3-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162500488

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole?
The IUPAC name of 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole (CID 164971938) is 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole.
What is the SMILES notation for 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole?
The canonical SMILES for 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole is Cc1ccccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole?
The InChIKey is VKKAGHFUNRDAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-31-15-11-14-24-41(31)50-42-27-25-35(32-16-5-2-6-17-32)29-39(42)40-30-36(26-28-43(40)50)37-22-12-13-23-38(37)46-48-44(33-18-7-3-8-19-33)47-45(49-46)34-20-9-4-10-21-34/h2-30H,1H3.
What are the key properties of 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole?
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole has a molecular weight of 640.79 g/mol, XLogP of 11.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-methylphenyl)-6-phenylcarbazole is sourced from PubChem (CID 164971938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).