4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione

C33H17Br2NO3 — CID 141318810

IUPAC4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione
SMILESO=c1cccc2cc3c(-c4ccc(Br)cc4)c4c(=O)n(-c5ccccc5)c(=O)c4c(-c4ccc(Br)cc4)c3c1-2
InChIInChI=1S/C33H17Br2NO3/c34-21-13-9-18(10-14-21)26-24-17-20-5-4-8-25(37)27(20)29(24)28(19-11-15-22(35)16-12-19)31-30(26)32(38)36(33(31)39)23-6-2-1-3-7-23/h1-17H
InChIKeySDQUNRSLMNRGRS-UHFFFAOYSA-N
MW635.31 g/mol
LogP7.70
Rot. Bonds3

About 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione

4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione (PubChem CID 141318810) has the molecular formula C33H17Br2NO3 and a molecular weight of 635.31 g/mol. Its IUPAC name is 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione.

Molecular Properties

Compound Name4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione
PubChem CID141318810
Molecular FormulaC33H17Br2NO3
Molecular Weight635.31 g/mol
Exact Mass632.96
IUPAC Name4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione
SMILESO=c1cccc2cc3c(-c4ccc(Br)cc4)c4c(=O)n(-c5ccccc5)c(=O)c4c(-c4ccc(Br)cc4)c3c1-2
InChIInChI=1S/C33H17Br2NO3/c34-21-13-9-18(10-14-21)26-24-17-20-5-4-8-25(37)27(20)29(24)28(19-11-15-22(35)16-12-19)31-30(26)32(38)36(33(31)39)23-6-2-1-3-7-23/h1-17H
InChIKeySDQUNRSLMNRGRS-UHFFFAOYSA-N
XLogP7.70
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.31
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103
17-[3-(4-bromophenyl)phenyl]-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90175622
9-(4-bromophenyl)-10-phenylanthracene;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]carbazole
CID 159346046
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone
CID 10073329
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090

Frequently Asked Questions

What is the IUPAC name of 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione?
The IUPAC name of 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione (CID 141318810) is 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione.
What is the SMILES notation for 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione?
The canonical SMILES for 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione is O=c1cccc2cc3c(-c4ccc(Br)cc4)c4c(=O)n(-c5ccccc5)c(=O)c4c(-c4ccc(Br)cc4)c3c1-2.
What is the InChIKey of 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione?
The InChIKey is SDQUNRSLMNRGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17Br2NO3/c34-21-13-9-18(10-14-21)26-24-17-20-5-4-8-25(37)27(20)29(24)28(19-11-15-22(35)16-12-19)31-30(26)32(38)36(33(31)39)23-6-2-1-3-7-23/h1-17H.
What are the key properties of 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione?
4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione has a molecular weight of 635.31 g/mol, XLogP of 7.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-bis(4-bromophenyl)-2-phenylindeno[1,2-f]isoindole-1,3,5-trione is sourced from PubChem (CID 141318810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).