5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole

C55H33N5O — CID 168809537

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cc(-c7ccc8ccccc8c7)c7oc8ccccc8c7c6)c5cc43)n2)cc1
InChIInChI=1S/C55H33N5O/c1-3-16-35(17-4-1)53-56-54(36-18-5-2-6-19-36)58-55(57-53)60-48-25-13-10-22-41(48)45-32-44-40-21-9-12-24-47(40)59(49(44)33-50(45)60)39-30-43(38-28-27-34-15-7-8-20-37(34)29-38)52-46(31-39)42-23-11-14-26-51(42)61-52/h1-33H
InChIKeyFGBGDRMBINVFDD-UHFFFAOYSA-N
MW779.90 g/mol
LogP14.12
Rot. Bonds5

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole (PubChem CID 168809537) has the molecular formula C55H33N5O and a molecular weight of 779.90 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole
PubChem CID168809537
Molecular FormulaC55H33N5O
Molecular Weight779.90 g/mol
Exact Mass779.27
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cc(-c7ccc8ccccc8c7)c7oc8ccccc8c7c6)c5cc43)n2)cc1
InChIInChI=1S/C55H33N5O/c1-3-16-35(17-4-1)53-56-54(36-18-5-2-6-19-36)58-55(57-53)60-48-25-13-10-22-41(48)45-32-44-40-21-9-12-24-47(40)59(49(44)33-50(45)60)39-30-43(38-28-27-34-15-7-8-20-37(34)29-38)52-46(31-39)42-23-11-14-26-51(42)61-52/h1-33H
InChIKeyFGBGDRMBINVFDD-UHFFFAOYSA-N
XLogP14.12
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.90
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 168809458
7-(4-phenyldibenzofuran-2-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 168809556
11-(4-naphthalen-2-yldibenzofuran-2-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168809436
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495942
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 167347572
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700520
5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 130417457
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
7-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]benzo[c]carbazole
CID 166496105
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene
CID 162507130

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole (CID 168809537) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cc(-c7ccc8ccccc8c7)c7oc8ccccc8c7c6)c5cc43)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole?
The InChIKey is FGBGDRMBINVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5O/c1-3-16-35(17-4-1)53-56-54(36-18-5-2-6-19-36)58-55(57-53)60-48-25-13-10-22-41(48)45-32-44-40-21-9-12-24-47(40)59(49(44)33-50(45)60)39-30-43(38-28-27-34-15-7-8-20-37(34)29-38)52-46(31-39)42-23-11-14-26-51(42)61-52/h1-33H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole has a molecular weight of 779.90 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 168809537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).