2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline

C42H26N2O — CID 176818332

IUPAC2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline
SMILESc1ccc(-c2ccc(-c3cc4c5cccc(-c6nc7ccccc7nc6-c6ccccc6)c5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C42H26N2O/c1-3-12-27(13-4-1)28-22-24-29(25-23-28)35-26-36-33-18-11-19-34(41(33)45-42(36)32-17-8-7-16-31(32)35)40-39(30-14-5-2-6-15-30)43-37-20-9-10-21-38(37)44-40/h1-26H
InChIKeyKAIIGDUDKHLLNF-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline

2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline (PubChem CID 176818332) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline
PubChem CID176818332
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline
SMILESc1ccc(-c2ccc(-c3cc4c5cccc(-c6nc7ccccc7nc6-c6ccccc6)c5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C42H26N2O/c1-3-12-27(13-4-1)28-22-24-29(25-23-28)35-26-36-33-18-11-19-34(41(33)45-42(36)32-17-8-7-16-31(32)35)40-39(30-14-5-2-6-15-30)43-37-20-9-10-21-38(37)44-40/h1-26H
InChIKeyKAIIGDUDKHLLNF-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-3-(4-phenylphenyl)quinoxaline
CID 167143626
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline
CID 176818625
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
2-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817718
2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline
CID 176817614
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
CID 176817926
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
5-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009954
14-phenyl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009938

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline?
The IUPAC name of 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline (CID 176818332) is 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline.
What is the SMILES notation for 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline?
The canonical SMILES for 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline is c1ccc(-c2ccc(-c3cc4c5cccc(-c6nc7ccccc7nc6-c6ccccc6)c5oc4c4ccccc34)cc2)cc1.
What is the InChIKey of 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline?
The InChIKey is KAIIGDUDKHLLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-3-12-27(13-4-1)28-22-24-29(25-23-28)35-26-36-33-18-11-19-34(41(33)45-42(36)32-17-8-7-16-31(32)35)40-39(30-14-5-2-6-15-30)43-37-20-9-10-21-38(37)44-40/h1-26H.
What are the key properties of 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline?
2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline has a molecular weight of 574.68 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline is sourced from PubChem (CID 176818332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).