8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole

C32H20BrN5 — CID 118586796

IUPAC8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
SMILESBrc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C32H20BrN5/c33-24-15-18-27-26(20-24)29-28(12-7-19-34-29)38(27)25-16-13-23(14-17-25)32-36-30(21-8-3-1-4-9-21)35-31(37-32)22-10-5-2-6-11-22/h1-20H
InChIKeyRJTZQAPIRVWVRB-UHFFFAOYSA-N
MW554.45 g/mol
LogP8.13
Rot. Bonds4

About 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole

8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 118586796) has the molecular formula C32H20BrN5 and a molecular weight of 554.45 g/mol. Its IUPAC name is 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
PubChem CID118586796
Molecular FormulaC32H20BrN5
Molecular Weight554.45 g/mol
Exact Mass553.09
IUPAC Name8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
SMILESBrc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C32H20BrN5/c33-24-15-18-27-26(20-24)29-28(12-7-19-34-29)38(27)25-16-13-23(14-17-25)32-36-30(21-8-3-1-4-9-21)35-31(37-32)22-10-5-2-6-11-22/h1-20H
InChIKeyRJTZQAPIRVWVRB-UHFFFAOYSA-N
XLogP8.13
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.45
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-5-phenylpyrido[3,2-b]indole;[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]boronic acid;8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 161193801
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 118000291
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
7-bromo-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;7-bromo-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-(4-phenylphenyl)pyrido[3,2-b]indole;7-bromo-5-phenylpyrido[3,2-b]indole;7-bromo-5-phenylpyrido[4,3-b]indole
CID 161314479
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 163640640
1-bromo-4-phenylbenzene;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161278194

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole (CID 118586796) is 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole is Brc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is RJTZQAPIRVWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20BrN5/c33-24-15-18-27-26(20-24)29-28(12-7-19-34-29)38(27)25-16-13-23(14-17-25)32-36-30(21-8-3-1-4-9-21)35-31(37-32)22-10-5-2-6-11-22/h1-20H.
What are the key properties of 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole?
8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole has a molecular weight of 554.45 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 118586796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).