1-bromo-7,8,9,10-tetraphenylfluoranthene

C40H25Br — CID 151551095

IUPAC1-bromo-7,8,9,10-tetraphenylfluoranthene
SMILESBrc1ccc2cccc3c2c1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-3
InChIInChI=1S/C40H25Br/c41-32-25-24-30-22-13-23-31-33(30)39(32)40-37(29-20-11-4-12-21-29)35(27-16-7-2-8-17-27)34(26-14-5-1-6-15-26)36(38(31)40)28-18-9-3-10-19-28/h1-25H
InChIKeyQAMTWOMSVUVTDI-UHFFFAOYSA-N
MW585.54 g/mol
LogP11.92
Rot. Bonds4

About 1-bromo-7,8,9,10-tetraphenylfluoranthene

1-bromo-7,8,9,10-tetraphenylfluoranthene (PubChem CID 151551095) has the molecular formula C40H25Br and a molecular weight of 585.54 g/mol. Its IUPAC name is 1-bromo-7,8,9,10-tetraphenylfluoranthene.

Molecular Properties

Compound Name1-bromo-7,8,9,10-tetraphenylfluoranthene
PubChem CID151551095
Molecular FormulaC40H25Br
Molecular Weight585.54 g/mol
Exact Mass584.11
IUPAC Name1-bromo-7,8,9,10-tetraphenylfluoranthene
SMILESBrc1ccc2cccc3c2c1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-3
InChIInChI=1S/C40H25Br/c41-32-25-24-30-22-13-23-31-33(30)39(32)40-37(29-20-11-4-12-21-29)35(27-16-7-2-8-17-27)34(26-14-5-1-6-15-26)36(38(31)40)28-18-9-3-10-19-28/h1-25H
InChIKeyQAMTWOMSVUVTDI-UHFFFAOYSA-N
XLogP11.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.54
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
6-bromobenzo[k]fluoranthene
CID 86073860
6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535115
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
1-[2,4,6-triphenyl-3,5-di(pyren-1-yl)phenyl]pyrene
CID 20596756
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
2-bromo-1,5-diphenylnaphthalene
CID 151219603
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
CID 166868424
16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 145313490
1,2,3,4-tetraphenyltetraphenylene
CID 12596759

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7,8,9,10-tetraphenylfluoranthene?
The IUPAC name of 1-bromo-7,8,9,10-tetraphenylfluoranthene (CID 151551095) is 1-bromo-7,8,9,10-tetraphenylfluoranthene.
What is the SMILES notation for 1-bromo-7,8,9,10-tetraphenylfluoranthene?
The canonical SMILES for 1-bromo-7,8,9,10-tetraphenylfluoranthene is Brc1ccc2cccc3c2c1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-3.
What is the InChIKey of 1-bromo-7,8,9,10-tetraphenylfluoranthene?
The InChIKey is QAMTWOMSVUVTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25Br/c41-32-25-24-30-22-13-23-31-33(30)39(32)40-37(29-20-11-4-12-21-29)35(27-16-7-2-8-17-27)34(26-14-5-1-6-15-26)36(38(31)40)28-18-9-3-10-19-28/h1-25H.
What are the key properties of 1-bromo-7,8,9,10-tetraphenylfluoranthene?
1-bromo-7,8,9,10-tetraphenylfluoranthene has a molecular weight of 585.54 g/mol, XLogP of 11.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7,8,9,10-tetraphenylfluoranthene is sourced from PubChem (CID 151551095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).