9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole

C38H22Br4O2 — CID 164755562

IUPAC9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
SMILESBrc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc4c(cc3-c3c(-c5ccccc5-c5ccccc5)cccc32)OCO4)c1
InChIInChI=1S/C38H22Br4O2/c39-25-13-23(14-26(40)17-25)38(24-15-27(41)18-28(42)16-24)33-12-6-11-31(30-10-5-4-9-29(30)22-7-2-1-3-8-22)37(33)32-19-35-36(20-34(32)38)44-21-43-35/h1-20H,21H2
InChIKeyWJMDXWGVHYXYPX-UHFFFAOYSA-N
MW830.21 g/mol
LogP12.16
Rot. Bonds4

About 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole

9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole (PubChem CID 164755562) has the molecular formula C38H22Br4O2 and a molecular weight of 830.21 g/mol. Its IUPAC name is 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole.

Molecular Properties

Compound Name9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
PubChem CID164755562
Molecular FormulaC38H22Br4O2
Molecular Weight830.21 g/mol
Exact Mass825.84
IUPAC Name9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
SMILESBrc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc4c(cc3-c3c(-c5ccccc5-c5ccccc5)cccc32)OCO4)c1
InChIInChI=1S/C38H22Br4O2/c39-25-13-23(14-26(40)17-25)38(24-15-27(41)18-28(42)16-24)33-12-6-11-31(30-10-5-4-9-29(30)22-7-2-1-3-8-22)37(33)32-19-35-36(20-34(32)38)44-21-43-35/h1-20H,21H2
InChIKeyWJMDXWGVHYXYPX-UHFFFAOYSA-N
XLogP12.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.21
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole 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

9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole
CID 164755597
9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 155009263
9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 164755577
14,14-bis(3-bromophenyl)-9,9-dimethyl-18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
CID 164755267
9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
CID 164755474
14,14-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
CID 164755367
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole
CID 164977187
9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]
CID 164755510
14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
CID 164755608
9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
CID 164755389
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?
The IUPAC name of 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole (CID 164755562) is 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole.
What is the SMILES notation for 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?
The canonical SMILES for 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole is Brc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc4c(cc3-c3c(-c5ccccc5-c5ccccc5)cccc32)OCO4)c1.
What is the InChIKey of 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?
The InChIKey is WJMDXWGVHYXYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22Br4O2/c39-25-13-23(14-26(40)17-25)38(24-15-27(41)18-28(42)16-24)33-12-6-11-31(30-10-5-4-9-29(30)22-7-2-1-3-8-22)37(33)32-19-35-36(20-34(32)38)44-21-43-35/h1-20H,21H2.
What are the key properties of 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?
9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole has a molecular weight of 830.21 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole is sourced from PubChem (CID 164755562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).