5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole

C55H34N4O — CID 155474665

IUPAC5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)c(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C55H34N4O/c1-4-15-35(16-5-1)42-24-14-25-48-52(42)46-31-38-21-10-11-22-39(38)34-49(46)59(48)47-29-27-41(33-44(47)40-28-30-51-45(32-40)43-23-12-13-26-50(43)60-51)55-57-53(36-17-6-2-7-18-36)56-54(58-55)37-19-8-3-9-20-37/h1-34H
InChIKeyUTFBWYSSJLMLBZ-UHFFFAOYSA-N
MW766.90 g/mol
LogP14.36
Rot. Bonds6

About 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole

5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole (PubChem CID 155474665) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
PubChem CID155474665
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)c(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C55H34N4O/c1-4-15-35(16-5-1)42-24-14-25-48-52(42)46-31-38-21-10-11-22-39(38)34-49(46)59(48)47-29-27-41(33-44(47)40-28-30-51-45(32-40)43-23-12-13-26-50(43)60-51)55-57-53(36-17-6-2-7-18-36)56-54(58-55)37-19-8-3-9-20-37/h1-34H
InChIKeyUTFBWYSSJLMLBZ-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

12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 155474616
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155450442
9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303494
9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
CID 139303631
12-[4-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)phenyl]-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 155450612
2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 156521712
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155475122
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155474965
9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole
CID 146414244
9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
CID 139303441

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole?
The IUPAC name of 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole (CID 155474665) is 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole?
The canonical SMILES for 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)c(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole?
The InChIKey is UTFBWYSSJLMLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-4-15-35(16-5-1)42-24-14-25-48-52(42)46-31-38-21-10-11-22-39(38)34-49(46)59(48)47-29-27-41(33-44(47)40-28-30-51-45(32-40)43-23-12-13-26-50(43)60-51)55-57-53(36-17-6-2-7-18-36)56-54(58-55)37-19-8-3-9-20-37/h1-34H.
What are the key properties of 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole?
5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]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 5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole is sourced from PubChem (CID 155474665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).