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

C32H18Br4O2 — CID 164755597

IUPAC9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole
SMILESBrc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc4c(cc3-c3c(-c5ccccc5)cccc32)OCO4)c1
InChIInChI=1S/C32H18Br4O2/c33-21-9-19(10-22(34)13-21)32(20-11-23(35)14-24(36)12-20)27-8-4-7-25(18-5-2-1-3-6-18)31(27)26-15-29-30(16-28(26)32)38-17-37-29/h1-16H,17H2
InChIKeyPNLQNROBQIKKGO-UHFFFAOYSA-N
MW754.11 g/mol
LogP10.50
Rot. Bonds3

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

9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole (PubChem CID 164755597) has the molecular formula C32H18Br4O2 and a molecular weight of 754.11 g/mol. Its IUPAC name is 9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole.

Molecular Properties

Compound Name9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole
PubChem CID164755597
Molecular FormulaC32H18Br4O2
Molecular Weight754.11 g/mol
Exact Mass749.80
IUPAC Name9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole
SMILESBrc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc4c(cc3-c3c(-c5ccccc5)cccc32)OCO4)c1
InChIInChI=1S/C32H18Br4O2/c33-21-9-19(10-22(34)13-21)32(20-11-23(35)14-24(36)12-20)27-8-4-7-25(18-5-2-1-3-6-18)31(27)26-15-29-30(16-28(26)32)38-17-37-29/h1-16H,17H2
InChIKeyPNLQNROBQIKKGO-UHFFFAOYSA-N
XLogP10.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.11
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 164755562
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
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
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-[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-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
CID 164755389

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole?
The IUPAC name of 9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole (CID 164755597) is 9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole.
What is the SMILES notation for 9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole?
The canonical SMILES for 9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole is Brc1cc(Br)cc(C2(c3cc(Br)cc(Br)c3)c3cc4c(cc3-c3c(-c5ccccc5)cccc32)OCO4)c1.
What is the InChIKey of 9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole?
The InChIKey is PNLQNROBQIKKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18Br4O2/c33-21-9-19(10-22(34)13-21)32(20-11-23(35)14-24(36)12-20)27-8-4-7-25(18-5-2-1-3-6-18)31(27)26-15-29-30(16-28(26)32)38-17-37-29/h1-16H,17H2.
What are the key properties of 9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole?
9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole has a molecular weight of 754.11 g/mol, XLogP of 10.50, 3 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-phenylindeno[1,2-f][1,3]benzodioxole is sourced from PubChem (CID 164755597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).