5,11-dibromo-10H-cyclohepta[b]naphthalene

C15H10Br2 — CID 143834873

IUPAC5,11-dibromo-10H-cyclohepta[b]naphthalene
SMILESBrc1c2c(c(Br)c3ccccc13)CC=CC=C2
InChIInChI=1S/C15H10Br2/c16-14-10-6-2-1-3-7-11(10)15(17)13-9-5-4-8-12(13)14/h1-6,8-9H,7H2
InChIKeyIACZZVYNLTUFJW-UHFFFAOYSA-N
MW350.05 g/mol
LogP5.49
Rot. Bonds

About 5,11-dibromo-10H-cyclohepta[b]naphthalene

5,11-dibromo-10H-cyclohepta[b]naphthalene (PubChem CID 143834873) has the molecular formula C15H10Br2 and a molecular weight of 350.05 g/mol. Its IUPAC name is 5,11-dibromo-10H-cyclohepta[b]naphthalene.

Molecular Properties

Compound Name5,11-dibromo-10H-cyclohepta[b]naphthalene
PubChem CID143834873
Molecular FormulaC15H10Br2
Molecular Weight350.05 g/mol
Exact Mass347.91
IUPAC Name5,11-dibromo-10H-cyclohepta[b]naphthalene
SMILESBrc1c2c(c(Br)c3ccccc13)CC=CC=C2
InChIInChI=1S/C15H10Br2/c16-14-10-6-2-1-3-7-11(10)15(17)13-9-5-4-8-12(13)14/h1-6,8-9H,7H2
InChIKeyIACZZVYNLTUFJW-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.05
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,11-dibromo-10H-cyclohepta[b]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-phenyl-7H-cyclohepta[c]quinoline
CID 139394582
tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)
CID 161066548
2-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6H-cyclohepta[b]indole
CID 144976413
4-methyl-6H-cyclohepta[b][1]benzofuran
CID 144724082
5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
CID 123942675
9,10-diphenyl-1,4-dihydroanthracene
CID 134158866
N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine
CID 144597039
4-N,4-N-dimethyl-9H-benzo[7]annulene-1,4-diamine
CID 142183863
N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline
CID 145313886
4-(10H-cyclohepta[b][1]benzothiol-4-yl)aniline
CID 139498191
9,10-dimethyl-1,2-dihydroanthracene
CID 71409601
2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene
CID 123551842

Frequently Asked Questions

What is the IUPAC name of 5,11-dibromo-10H-cyclohepta[b]naphthalene?
The IUPAC name of 5,11-dibromo-10H-cyclohepta[b]naphthalene (CID 143834873) is 5,11-dibromo-10H-cyclohepta[b]naphthalene.
What is the SMILES notation for 5,11-dibromo-10H-cyclohepta[b]naphthalene?
The canonical SMILES for 5,11-dibromo-10H-cyclohepta[b]naphthalene is Brc1c2c(c(Br)c3ccccc13)CC=CC=C2.
What is the InChIKey of 5,11-dibromo-10H-cyclohepta[b]naphthalene?
The InChIKey is IACZZVYNLTUFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2/c16-14-10-6-2-1-3-7-11(10)15(17)13-9-5-4-8-12(13)14/h1-6,8-9H,7H2.
What are the key properties of 5,11-dibromo-10H-cyclohepta[b]naphthalene?
5,11-dibromo-10H-cyclohepta[b]naphthalene has a molecular weight of 350.05 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dibromo-10H-cyclohepta[b]naphthalene is sourced from PubChem (CID 143834873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).