10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole

C49H30N4O — CID 163799058

IUPAC10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-14-32(15-5-1)47-50-48(33-16-6-2-7-17-33)52-49(51-47)35-23-26-39-44(30-35)54-43-22-12-21-38(46(39)43)34-25-27-41-40(29-34)45-37-20-11-10-13-31(37)24-28-42(45)53(41)36-18-8-3-9-19-36/h1-30H
InChIKeyNDJUEXHCCAWSHS-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole

10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole (PubChem CID 163799058) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
PubChem CID163799058
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-14-32(15-5-1)47-50-48(33-16-6-2-7-17-33)52-49(51-47)35-23-26-39-44(30-35)54-43-22-12-21-38(46(39)43)34-25-27-41-40(29-34)45-37-20-11-10-13-31(37)24-28-42(45)53(41)36-18-8-3-9-19-36/h1-30H
InChIKeyNDJUEXHCCAWSHS-UHFFFAOYSA-N
XLogP12.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
7-phenyl-10-[7-[4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 165375427
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-phenylbenzo[c]carbazole
CID 146491044
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-6,9-diphenylcarbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenyl-2-triphenylen-2-ylcarbazole
CID 163786924
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
3,9-diphenyl-6-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768833
3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768312
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-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768081
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717

Frequently Asked Questions

What is the IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole?
The IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole (CID 163799058) is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole?
The canonical SMILES for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole?
The InChIKey is NDJUEXHCCAWSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-4-14-32(15-5-1)47-50-48(33-16-6-2-7-17-33)52-49(51-47)35-23-26-39-44(30-35)54-43-22-12-21-38(46(39)43)34-25-27-41-40(29-34)45-37-20-11-10-13-31(37)24-28-42(45)53(41)36-18-8-3-9-19-36/h1-30H.
What are the key properties of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole?
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole has a molecular weight of 690.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 163799058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).