6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole

C57H38BrN5 — CID 123220692

IUPAC6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole
SMILESBrc1cccc(C2=CC=CC(c3ccc4c(c3)c3ccc(-c5cccc6c5[nH]c5c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)cc3n4-c3ccccc3)C2)c1
InChIInChI=1S/C57H38BrN5/c58-43-21-11-20-40(33-43)38-18-10-19-39(32-38)41-29-31-51-50(34-41)46-30-28-42(35-52(46)63(51)44-22-8-3-9-23-44)45-24-12-25-47-48-26-13-27-49(54(48)59-53(45)47)57-61-55(36-14-4-1-5-15-36)60-56(62-57)37-16-6-2-7-17-37/h1-31,33-35,39,59H,32H2
InChIKeyNUBVFTQORQOTLF-UHFFFAOYSA-N
MW872.87 g/mol
LogP15.16
Rot. Bonds7

About 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole

6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole (PubChem CID 123220692) has the molecular formula C57H38BrN5 and a molecular weight of 872.87 g/mol. Its IUPAC name is 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole
PubChem CID123220692
Molecular FormulaC57H38BrN5
Molecular Weight872.87 g/mol
Exact Mass871.23
IUPAC Name6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole
SMILESBrc1cccc(C2=CC=CC(c3ccc4c(c3)c3ccc(-c5cccc6c5[nH]c5c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)cc3n4-c3ccccc3)C2)c1
InChIInChI=1S/C57H38BrN5/c58-43-21-11-20-40(33-43)38-18-10-19-39(32-38)41-29-31-51-50(34-41)46-30-28-42(35-52(46)63(51)44-22-8-3-9-23-44)45-24-12-25-47-48-26-13-27-49(54(48)59-53(45)47)57-61-55(36-14-4-1-5-15-36)60-56(62-57)37-16-6-2-7-17-37/h1-31,33-35,39,59H,32H2
InChIKeyNUBVFTQORQOTLF-UHFFFAOYSA-N
XLogP15.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.87
LogP ≤ 515.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole with MolForge

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Related Compounds

5-bromo-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
CID 122191962
2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
CID 122191969
2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
CID 155555166
5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
CID 122191965
5-bromo-2-phenyl-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
CID 122191966
2-(4-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
CID 122191970
2-(4-bromophenyl)-3-[1-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
CID 122191971
9-(4'-(4,6-Diphenyl-1,3,5-triazin-2-yl)-[1,1'-biphenyl]-3-yl)-9h-carbazole
CID 58943518
3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9H-carbazole
CID 70934583
9-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-3,6-diphenyl-9h-carbazole
CID 89797569
4-DCzTRZ
CID 90051097
9-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1,1'-biphenyl]-3-yl]-9H-carbazole
CID 118330171

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole?
The IUPAC name of 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole (CID 123220692) is 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole?
The canonical SMILES for 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole is Brc1cccc(C2=CC=CC(c3ccc4c(c3)c3ccc(-c5cccc6c5[nH]c5c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)cc3n4-c3ccccc3)C2)c1.
What is the InChIKey of 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole?
The InChIKey is NUBVFTQORQOTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38BrN5/c58-43-21-11-20-40(33-43)38-18-10-19-39(32-38)41-29-31-51-50(34-41)46-30-28-42(35-52(46)63(51)44-22-8-3-9-23-44)45-24-12-25-47-48-26-13-27-49(54(48)59-53(45)47)57-61-55(36-14-4-1-5-15-36)60-56(62-57)37-16-6-2-7-17-37/h1-31,33-35,39,59H,32H2.
What are the key properties of 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole?
6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole has a molecular weight of 872.87 g/mol, XLogP of 15.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-bromophenyl)cyclohexa-2,4-dien-1-yl]-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 123220692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).