3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran

C38H24O2 — CID 156553274

IUPAC3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3oc(-c4cc5c(cc4-c4ccccc4)oc4ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C38H24O2/c1-3-12-25(13-4-1)27-16-11-17-28(22-27)37-30-19-7-8-20-31(30)38(40-37)34-23-33-29-18-9-10-21-35(29)39-36(33)24-32(34)26-14-5-2-6-15-26/h1-24H
InChIKeyIWRNEBKBWJFVAM-UHFFFAOYSA-N
MW512.61 g/mol
LogP11.00
Rot. Bonds4

About 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran

3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran (PubChem CID 156553274) has the molecular formula C38H24O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran.

Molecular Properties

Compound Name3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
PubChem CID156553274
Molecular FormulaC38H24O2
Molecular Weight512.61 g/mol
Exact Mass512.18
IUPAC Name3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3oc(-c4cc5c(cc4-c4ccccc4)oc4ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C38H24O2/c1-3-12-25(13-4-1)27-16-11-17-28(22-27)37-30-19-7-8-20-31(30)38(40-37)34-23-33-29-18-9-10-21-35(29)39-36(33)24-32(34)26-14-5-2-6-15-26/h1-24H
InChIKeyIWRNEBKBWJFVAM-UHFFFAOYSA-N
XLogP11.00
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diphenyldibenzofuran
CID 12699263
2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran
CID 139397243
1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
CID 156553370
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164723679
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
2-chloro-3-phenyldibenzofuran
CID 166918311
1,3,5,6-tetraphenyl-2-benzofuran
CID 22457278
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran?
The IUPAC name of 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran (CID 156553274) is 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran.
What is the SMILES notation for 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran?
The canonical SMILES for 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran is c1ccc(-c2cccc(-c3oc(-c4cc5c(cc4-c4ccccc4)oc4ccccc45)c4ccccc34)c2)cc1.
What is the InChIKey of 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran?
The InChIKey is IWRNEBKBWJFVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O2/c1-3-12-25(13-4-1)27-16-11-17-28(22-27)37-30-19-7-8-20-31(30)38(40-37)34-23-33-29-18-9-10-21-35(29)39-36(33)24-32(34)26-14-5-2-6-15-26/h1-24H.
What are the key properties of 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran?
3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran has a molecular weight of 512.61 g/mol, XLogP of 11.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran is sourced from PubChem (CID 156553274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).