7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole

C55H34N4O — CID 166495798

IUPAC7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4c5ccccc5ccc43)c3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C55H34N4O/c1-5-16-35(17-6-1)40-29-30-46-44(32-40)50-42-25-14-13-20-37(42)28-31-47(50)59(46)48-34-41(36-18-7-2-8-19-36)33-45-51-43(26-15-27-49(51)60-52(45)48)55-57-53(38-21-9-3-10-22-38)56-54(58-55)39-23-11-4-12-24-39/h1-34H
InChIKeyHXYJWJQFGVVRMG-UHFFFAOYSA-N
MW766.90 g/mol
LogP14.36
Rot. Bonds6

About 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole

7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole (PubChem CID 166495798) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
PubChem CID166495798
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4c5ccccc5ccc43)c3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C55H34N4O/c1-5-16-35(17-6-1)40-29-30-46-44(32-40)50-42-25-14-13-20-37(42)28-31-47(50)59(46)48-34-41(36-18-7-2-8-19-36)33-45-51-43(26-15-27-49(51)60-52(45)48)55-57-53(38-21-9-3-10-22-38)56-54(58-55)39-23-11-4-12-24-39/h1-34H
InChIKeyHXYJWJQFGVVRMG-UHFFFAOYSA-N
XLogP14.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 160548557
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole
CID 166496047
9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166495909
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-10-phenylbenzo[c]carbazole
CID 164847819
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166495776
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole;7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole;7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylbenzo[c]carbazole;7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 163561026
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-phenylbenzo[c]carbazole
CID 146491044
7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole
CID 162501443
7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
CID 155485233
7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-(4-phenylphenyl)benzo[c]carbazole
CID 164847964
7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole
CID 162501390
2-phenyl-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164965431

Frequently Asked Questions

What is the IUPAC name of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole?
The IUPAC name of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole (CID 166495798) is 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole?
The canonical SMILES for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole is c1ccc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4c5ccccc5ccc43)c3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.
What is the InChIKey of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole?
The InChIKey is HXYJWJQFGVVRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-5-16-35(17-6-1)40-29-30-46-44(32-40)50-42-25-14-13-20-37(42)28-31-47(50)59(46)48-34-41(36-18-7-2-8-19-36)33-45-51-43(26-15-27-49(51)60-52(45)48)55-57-53(38-21-9-3-10-22-38)56-54(58-55)39-23-11-4-12-24-39/h1-34H.
What are the key properties of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole?
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole has a molecular weight of 766.90 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole is sourced from PubChem (CID 166495798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).