6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol

C52H34N4O2 — CID 118507731

IUPAC6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol
SMILESCc1ccccc1-c1ccc2c(c1O)c1cc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C52H34N4O2/c1-32-14-11-12-21-38(32)39-26-28-44-48(49(39)57)41-30-35(24-27-43(41)56(44)37-19-9-4-10-20-37)36-25-29-45-42(31-36)47-40(22-13-23-46(47)58-45)52-54-50(33-15-5-2-6-16-33)53-51(55-52)34-17-7-3-8-18-34/h2-31,57H,1H3
InChIKeyNMUIHOQNQPILME-UHFFFAOYSA-N
MW746.87 g/mol
LogP13.22
Rot. Bonds6

About 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol

6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol (PubChem CID 118507731) has the molecular formula C52H34N4O2 and a molecular weight of 746.87 g/mol. Its IUPAC name is 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol.

Molecular Properties

Compound Name6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol
PubChem CID118507731
Molecular FormulaC52H34N4O2
Molecular Weight746.87 g/mol
Exact Mass746.27
IUPAC Name6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol
SMILESCc1ccccc1-c1ccc2c(c1O)c1cc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C52H34N4O2/c1-32-14-11-12-21-38(32)39-26-28-44-48(49(39)57)41-30-35(24-27-43(41)56(44)37-19-9-4-10-20-37)36-25-29-45-42(31-36)47-40(22-13-23-46(47)58-45)52-54-50(33-15-5-2-6-16-33)53-51(55-52)34-17-7-3-8-18-34/h2-31,57H,1H3
InChIKeyNMUIHOQNQPILME-UHFFFAOYSA-N
XLogP13.22
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.87
LogP ≤ 513.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-triphenylen-1-ylcarbazole
CID 154602338
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 154602051
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole
CID 129292117
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529

Frequently Asked Questions

What is the IUPAC name of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol?
The IUPAC name of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol (CID 118507731) is 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol.
What is the SMILES notation for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol?
The canonical SMILES for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol is Cc1ccccc1-c1ccc2c(c1O)c1cc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol?
The InChIKey is NMUIHOQNQPILME-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O2/c1-32-14-11-12-21-38(32)39-26-28-44-48(49(39)57)41-30-35(24-27-43(41)56(44)37-19-9-4-10-20-37)36-25-29-45-42(31-36)47-40(22-13-23-46(47)58-45)52-54-50(33-15-5-2-6-16-33)53-51(55-52)34-17-7-3-8-18-34/h2-31,57H,1H3.
What are the key properties of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol?
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol has a molecular weight of 746.87 g/mol, XLogP of 13.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(2-methylphenyl)-9-phenylcarbazol-4-ol is sourced from PubChem (CID 118507731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).