1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran

C25H17BrO — CID 138618022

IUPAC1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran
SMILESBrc1cccc2oc3ccc(C4=CC(c5ccccc5)=CCC=C4)cc3c12
InChIInChI=1S/C25H17BrO/c26-22-11-6-12-24-25(22)21-16-20(13-14-23(21)27-24)19-10-5-4-9-18(15-19)17-7-2-1-3-8-17/h1-3,5-16H,4H2
InChIKeyGVCQJHJYHYNMJZ-UHFFFAOYSA-N
MW413.31 g/mol
LogP7.78
Rot. Bonds2

About 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran

1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran (PubChem CID 138618022) has the molecular formula C25H17BrO and a molecular weight of 413.31 g/mol. Its IUPAC name is 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran.

Molecular Properties

Compound Name1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran
PubChem CID138618022
Molecular FormulaC25H17BrO
Molecular Weight413.31 g/mol
Exact Mass412.05
IUPAC Name1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran
SMILESBrc1cccc2oc3ccc(C4=CC(c5ccccc5)=CCC=C4)cc3c12
InChIInChI=1S/C25H17BrO/c26-22-11-6-12-24-25(22)21-16-20(13-14-23(21)27-24)19-10-5-4-9-18(15-19)17-7-2-1-3-8-17/h1-3,5-16H,4H2
InChIKeyGVCQJHJYHYNMJZ-UHFFFAOYSA-N
XLogP7.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.31
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
CID 138618454
[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine
CID 145447503
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
CID 129100189
1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane
CID 145007051
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755
10-[4-(9-bromodibenzofuran-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 134595020
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
(8-phenyldibenzofuran-1-yl)boronic acid
CID 123712024
CID 161328443
CID 161328443
20-[5-(10-phenylanthracen-9-yl)cyclohexa-1,5-dien-1-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 163563234
2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran?
The IUPAC name of 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran (CID 138618022) is 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran.
What is the SMILES notation for 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran?
The canonical SMILES for 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran is Brc1cccc2oc3ccc(C4=CC(c5ccccc5)=CCC=C4)cc3c12.
What is the InChIKey of 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran?
The InChIKey is GVCQJHJYHYNMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrO/c26-22-11-6-12-24-25(22)21-16-20(13-14-23(21)27-24)19-10-5-4-9-18(15-19)17-7-2-1-3-8-17/h1-3,5-16H,4H2.
What are the key properties of 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran?
1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran has a molecular weight of 413.31 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-(3-phenylcyclohepta-1,3,6-trien-1-yl)dibenzofuran is sourced from PubChem (CID 138618022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).