8-bromo-3-naphthalen-1-ylfluoranthene

C26H15Br — CID 139499164

IUPAC8-bromo-3-naphthalen-1-ylfluoranthene
SMILESBrc1ccc2c(c1)-c1cccc3c(-c4cccc5ccccc45)ccc-2c13
InChIInChI=1S/C26H15Br/c27-17-11-12-21-24-14-13-20(19-8-3-6-16-5-1-2-7-18(16)19)22-9-4-10-23(26(22)24)25(21)15-17/h1-15H
InChIKeyBDYGQVIXMNMBIS-UHFFFAOYSA-N
MW407.31 g/mol
LogP8.07
Rot. Bonds1

About 8-bromo-3-naphthalen-1-ylfluoranthene

8-bromo-3-naphthalen-1-ylfluoranthene (PubChem CID 139499164) has the molecular formula C26H15Br and a molecular weight of 407.31 g/mol. Its IUPAC name is 8-bromo-3-naphthalen-1-ylfluoranthene.

Molecular Properties

Compound Name8-bromo-3-naphthalen-1-ylfluoranthene
PubChem CID139499164
Molecular FormulaC26H15Br
Molecular Weight407.31 g/mol
Exact Mass406.04
IUPAC Name8-bromo-3-naphthalen-1-ylfluoranthene
SMILESBrc1ccc2c(c1)-c1cccc3c(-c4cccc5ccccc45)ccc-2c13
InChIInChI=1S/C26H15Br/c27-17-11-12-21-24-14-13-20(19-8-3-6-16-5-1-2-7-18(16)19)22-9-4-10-23(26(22)24)25(21)15-17/h1-15H
InChIKeyBDYGQVIXMNMBIS-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-bromofluoranthene;8-bromofluoranthene
CID 174507222
2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol
CID 58261454
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
3-(2-bromophenyl)fluoranthene
CID 58390376
10-bromo-14-(2-naphthalen-1-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463591
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
5-iodo-1,4-dinaphthalen-1-ylnaphthalene
CID 145347874
ethane;methyl 5-bromo-2-naphthalen-1-ylbenzoate
CID 144844652
9-bromobenzo[a]phenalen-7-one
CID 118565290
3-benzo[k]fluoranthen-3-ylbenzo[k]fluoranthene;deuterium monohydride;undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 157182573

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-naphthalen-1-ylfluoranthene?
The IUPAC name of 8-bromo-3-naphthalen-1-ylfluoranthene (CID 139499164) is 8-bromo-3-naphthalen-1-ylfluoranthene.
What is the SMILES notation for 8-bromo-3-naphthalen-1-ylfluoranthene?
The canonical SMILES for 8-bromo-3-naphthalen-1-ylfluoranthene is Brc1ccc2c(c1)-c1cccc3c(-c4cccc5ccccc45)ccc-2c13.
What is the InChIKey of 8-bromo-3-naphthalen-1-ylfluoranthene?
The InChIKey is BDYGQVIXMNMBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Br/c27-17-11-12-21-24-14-13-20(19-8-3-6-16-5-1-2-7-18(16)19)22-9-4-10-23(26(22)24)25(21)15-17/h1-15H.
What are the key properties of 8-bromo-3-naphthalen-1-ylfluoranthene?
8-bromo-3-naphthalen-1-ylfluoranthene has a molecular weight of 407.31 g/mol, XLogP of 8.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-naphthalen-1-ylfluoranthene is sourced from PubChem (CID 139499164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).