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

C38H24Br2O2 — CID 155009263

IUPAC9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
SMILESBrc1cccc(C2(c3cccc(Br)c3)c3cc4c(cc3-c3c(-c5cccc(-c6ccccc6)c5)cccc32)OCO4)c1
InChIInChI=1S/C38H24Br2O2/c39-29-14-5-12-27(19-29)38(28-13-6-15-30(40)20-28)33-17-7-16-31(26-11-4-10-25(18-26)24-8-2-1-3-9-24)37(33)32-21-35-36(22-34(32)38)42-23-41-35/h1-22H,23H2
InChIKeyUYZVECIUASILRI-UHFFFAOYSA-N
MW672.42 g/mol
LogP10.64
Rot. Bonds4

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

9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole (PubChem CID 155009263) has the molecular formula C38H24Br2O2 and a molecular weight of 672.42 g/mol. Its IUPAC name is 9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole.

Molecular Properties

Compound Name9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
PubChem CID155009263
Molecular FormulaC38H24Br2O2
Molecular Weight672.42 g/mol
Exact Mass670.01
IUPAC Name9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
SMILESBrc1cccc(C2(c3cccc(Br)c3)c3cc4c(cc3-c3c(-c5cccc(-c6ccccc6)c5)cccc32)OCO4)c1
InChIInChI=1S/C38H24Br2O2/c39-29-14-5-12-27(19-29)38(28-13-6-15-30(40)20-28)33-17-7-16-31(26-11-4-10-25(18-26)24-8-2-1-3-9-24)37(33)32-21-35-36(22-34(32)38)42-23-41-35/h1-22H,23H2
InChIKeyUYZVECIUASILRI-UHFFFAOYSA-N
XLogP10.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.42
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole
CID 164755597
9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 164755562
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-[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
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-[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
9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[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-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]
CID 167048761
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?
The IUPAC name of 9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole (CID 155009263) is 9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole.
What is the SMILES notation for 9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?
The canonical SMILES for 9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole is Brc1cccc(C2(c3cccc(Br)c3)c3cc4c(cc3-c3c(-c5cccc(-c6ccccc6)c5)cccc32)OCO4)c1.
What is the InChIKey of 9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?
The InChIKey is UYZVECIUASILRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24Br2O2/c39-29-14-5-12-27(19-29)38(28-13-6-15-30(40)20-28)33-17-7-16-31(26-11-4-10-25(18-26)24-8-2-1-3-9-24)37(33)32-21-35-36(22-34(32)38)42-23-41-35/h1-22H,23H2.
What are the key properties of 9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole?
9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole has a molecular weight of 672.42 g/mol, XLogP of 10.64, 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-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole is sourced from PubChem (CID 155009263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).