4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C43H26N4O — CID 159816656

IUPAC4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-12-27(13-4-1)41-44-42(30-22-23-38-34(25-30)35-24-28-14-7-8-15-29(28)26-39(35)48-38)46-43(45-41)33-19-11-21-37-40(33)32-18-9-10-20-36(32)47(37)31-16-5-2-6-17-31/h1-26H
InChIKeyNLRVMGAQTRETQK-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

About 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 159816656) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID159816656
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-12-27(13-4-1)41-44-42(30-22-23-38-34(25-30)35-24-28-14-7-8-15-29(28)26-39(35)48-38)46-43(45-41)33-19-11-21-37-40(33)32-18-9-10-20-36(32)47(37)31-16-5-2-6-17-31/h1-26H
InChIKeyNLRVMGAQTRETQK-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
2-dibenzofuran-1-yl-4-naphthalen-1-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine;4-[4-naphthalen-1-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163642834
4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 170534380
9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 139342719
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
12-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-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 166700834
2-(4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 161127098
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325
5-[2-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700691
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 159816656) is 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is NLRVMGAQTRETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-3-12-27(13-4-1)41-44-42(30-22-23-38-34(25-30)35-24-28-14-7-8-15-29(28)26-39(35)48-38)46-43(45-41)33-19-11-21-37-40(33)32-18-9-10-20-36(32)47(37)31-16-5-2-6-17-31/h1-26H.
What are the key properties of 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 159816656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).