7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran

C28H17BrO — CID 167303576

IUPAC7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran
SMILESBrc1ccc(-c2ccc(-c3ccccc3)c3cc4c(cc23)oc2ccccc24)cc1
InChIInChI=1S/C28H17BrO/c29-20-12-10-19(11-13-20)22-15-14-21(18-6-2-1-3-7-18)24-16-26-23-8-4-5-9-27(23)30-28(26)17-25(22)24/h1-17H
InChIKeyPNNWQCJGZFKWLE-UHFFFAOYSA-N
MW449.35 g/mol
LogP8.84
Rot. Bonds2

About 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran

7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran (PubChem CID 167303576) has the molecular formula C28H17BrO and a molecular weight of 449.35 g/mol. Its IUPAC name is 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran
PubChem CID167303576
Molecular FormulaC28H17BrO
Molecular Weight449.35 g/mol
Exact Mass448.05
IUPAC Name7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran
SMILESBrc1ccc(-c2ccc(-c3ccccc3)c3cc4c(cc23)oc2ccccc24)cc1
InChIInChI=1S/C28H17BrO/c29-20-12-10-19(11-13-20)22-15-14-21(18-6-2-1-3-7-18)24-16-26-23-8-4-5-9-27(23)30-28(26)17-25(22)24/h1-17H
InChIKeyPNNWQCJGZFKWLE-UHFFFAOYSA-N
XLogP8.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran
CID 160654162
2,3-diphenyldibenzofuran
CID 12699263
7,10-bis[3-(6-phenylpyren-1-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 170939838
14-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123605957
1-(4-bromophenyl)-3-phenyldibenzofuran
CID 135295838
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415794
N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283
2-[3-(4-bromophenyl)-2-hydroxyphenyl]dibenzofuran-3-ol
CID 146487849
2-chloro-3-phenyldibenzofuran
CID 166918311
4-(4-bromophenyl)dibenzofuran
CID 59022098
19-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;2-bromo-8-(2-phenylphenyl)dibenzofuran;dichloromethane;trichloroiron
CID 162102764

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran (CID 167303576) is 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran is Brc1ccc(-c2ccc(-c3ccccc3)c3cc4c(cc23)oc2ccccc24)cc1.
What is the InChIKey of 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran?
The InChIKey is PNNWQCJGZFKWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrO/c29-20-12-10-19(11-13-20)22-15-14-21(18-6-2-1-3-7-18)24-16-26-23-8-4-5-9-27(23)30-28(26)17-25(22)24/h1-17H.
What are the key properties of 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran?
7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran has a molecular weight of 449.35 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167303576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).