6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole

C32H20BrN5 — CID 129221585

IUPAC6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole
SMILESBrc1ccc2c(c1)c1cccnc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C32H20BrN5/c33-24-16-17-28-27(20-24)26-15-8-18-34-32(26)38(28)25-14-7-13-23(19-25)31-36-29(21-9-3-1-4-10-21)35-30(37-31)22-11-5-2-6-12-22/h1-20H
InChIKeyCJQCNPUNQYSPAN-UHFFFAOYSA-N
MW554.45 g/mol
LogP8.13
Rot. Bonds4

About 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole

6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole (PubChem CID 129221585) has the molecular formula C32H20BrN5 and a molecular weight of 554.45 g/mol. Its IUPAC name is 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole
PubChem CID129221585
Molecular FormulaC32H20BrN5
Molecular Weight554.45 g/mol
Exact Mass553.09
IUPAC Name6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole
SMILESBrc1ccc2c(c1)c1cccnc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C32H20BrN5/c33-24-16-17-28-27(20-24)26-15-8-18-34-32(26)38(28)25-14-7-13-23(19-25)31-36-29(21-9-3-1-4-10-21)35-30(37-31)22-11-5-2-6-12-22/h1-20H
InChIKeyCJQCNPUNQYSPAN-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

Analyze 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole with MolForge

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Related Compounds

2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid
CID 159100992
[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane
CID 158724090
3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 175101283
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587653
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 141480105
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221443
8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
CID 118586796
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole?
The IUPAC name of 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole (CID 129221585) is 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole is Brc1ccc2c(c1)c1cccnc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole?
The InChIKey is CJQCNPUNQYSPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20BrN5/c33-24-16-17-28-27(20-24)26-15-8-18-34-32(26)38(28)25-14-7-13-23(19-25)31-36-29(21-9-3-1-4-10-21)35-30(37-31)22-11-5-2-6-12-22/h1-20H.
What are the key properties of 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole?
6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-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 6-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 129221585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).