1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine

C31H22Br2N2 — CID 156863236

IUPAC1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine
SMILESBrc1c(N2CN(c3ccc4ccccc4c3Br)c3cccc4cccc2c34)ccc2c1=CCCC=2
InChIInChI=1S/C31H22Br2N2/c32-30-23-11-3-1-7-20(23)15-17-27(30)34-19-35(26-14-6-10-22-9-5-13-25(34)29(22)26)28-18-16-21-8-2-4-12-24(21)31(28)33/h1,3,5-18H,2,4,19H2
InChIKeyGRYIPJBFVGHRJT-UHFFFAOYSA-N
MW582.34 g/mol
LogP8.12
Rot. Bonds2

About 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine

1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine (PubChem CID 156863236) has the molecular formula C31H22Br2N2 and a molecular weight of 582.34 g/mol. Its IUPAC name is 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine.

Molecular Properties

Compound Name1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine
PubChem CID156863236
Molecular FormulaC31H22Br2N2
Molecular Weight582.34 g/mol
Exact Mass580.01
IUPAC Name1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine
SMILESBrc1c(N2CN(c3ccc4ccccc4c3Br)c3cccc4cccc2c34)ccc2c1=CCCC=2
InChIInChI=1S/C31H22Br2N2/c32-30-23-11-3-1-7-20(23)15-17-27(30)34-19-35(26-14-6-10-22-9-5-13-25(34)29(22)26)28-18-16-21-8-2-4-12-24(21)31(28)33/h1,3,5-18H,2,4,19H2
InChIKeyGRYIPJBFVGHRJT-UHFFFAOYSA-N
XLogP8.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.34
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-dihydronaphtho[1,2-b]phenanthrene
CID 102065231
1-(2-bromophenyl)-3-phenyl-2H-perimidine
CID 156863276
30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene
CID 89300990
1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole
CID 18736755
phenanthrene;pyrene;triphenylene
CID 162115949
2,3-dihydroanthracen-9-ylmethanethiol
CID 88940343
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
2,3,8,9-tetrabromohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
CID 11353569
benzo[e]pyrene
CID 9128
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122
4-(2-bromo-4-phenylphenyl)-2-oxa-4-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 163254172
1,2-dibromopicene
CID 90833242

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine?
The IUPAC name of 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine (CID 156863236) is 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine.
What is the SMILES notation for 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine?
The canonical SMILES for 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine is Brc1c(N2CN(c3ccc4ccccc4c3Br)c3cccc4cccc2c34)ccc2c1=CCCC=2.
What is the InChIKey of 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine?
The InChIKey is GRYIPJBFVGHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Br2N2/c32-30-23-11-3-1-7-20(23)15-17-27(30)34-19-35(26-14-6-10-22-9-5-13-25(34)29(22)26)28-18-16-21-8-2-4-12-24(21)31(28)33/h1,3,5-18H,2,4,19H2.
What are the key properties of 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine?
1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine has a molecular weight of 582.34 g/mol, XLogP of 8.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-6,7-dihydronaphthalen-2-yl)-3-(1-bromonaphthalen-2-yl)-2H-perimidine is sourced from PubChem (CID 156863236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).