2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran

C39H25BrO — CID 144640207

IUPAC2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran
SMILESBrc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3CC4=Cc3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C39H25BrO/c40-32-16-13-26(14-17-32)27-7-5-8-28(22-27)29-15-18-34-31(23-30-6-1-2-9-33(30)36(34)24-29)20-25-12-19-39-37(21-25)35-10-3-4-11-38(35)41-39/h1-22,24H,23H2
InChIKeyJHAWRJCTKRXKNF-UHFFFAOYSA-N
MW589.53 g/mol
LogP11.45
Rot. Bonds3

About 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran

2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran (PubChem CID 144640207) has the molecular formula C39H25BrO and a molecular weight of 589.53 g/mol. Its IUPAC name is 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran.

Molecular Properties

Compound Name2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran
PubChem CID144640207
Molecular FormulaC39H25BrO
Molecular Weight589.53 g/mol
Exact Mass588.11
IUPAC Name2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran
SMILESBrc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3CC4=Cc3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C39H25BrO/c40-32-16-13-26(14-17-32)27-7-5-8-28(22-27)29-15-18-34-31(23-30-6-1-2-9-33(30)36(34)24-29)20-25-12-19-39-37(21-25)35-10-3-4-11-38(35)41-39/h1-22,24H,23H2
InChIKeyJHAWRJCTKRXKNF-UHFFFAOYSA-N
XLogP11.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.53
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
2-[(Z)-2-[5-(3-bromophenyl)-2-(2-methylphenyl)phenyl]ethenyl]dibenzofuran
CID 144639842
3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene
CID 144639990
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938
2,10-bis(3-phenylphenyl)-7H-fluoreno[2,3-b][1]benzofuran
CID 129231087
7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran
CID 167303576
2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402370
10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441671
2-[8-[4-(9H-fluoren-3-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597292
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran?
The IUPAC name of 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran (CID 144640207) is 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran.
What is the SMILES notation for 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran?
The canonical SMILES for 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran is Brc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3CC4=Cc3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran?
The InChIKey is JHAWRJCTKRXKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25BrO/c40-32-16-13-26(14-17-32)27-7-5-8-28(22-27)29-15-18-34-31(23-30-6-1-2-9-33(30)36(34)24-29)20-25-12-19-39-37(21-25)35-10-3-4-11-38(35)41-39/h1-22,24H,23H2.
What are the key properties of 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran?
2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran has a molecular weight of 589.53 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(4-bromophenyl)phenyl]-10H-phenanthren-9-ylidene]methyl]dibenzofuran is sourced from PubChem (CID 144640207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).