1,7-dibromo-5-chlorophenanthrene

C14H7Br2Cl — CID 142721805

IUPAC1,7-dibromo-5-chlorophenanthrene
SMILESClc1cc(Br)cc2ccc3c(Br)cccc3c12
InChIInChI=1S/C14H7Br2Cl/c15-9-6-8-4-5-10-11(2-1-3-12(10)16)14(8)13(17)7-9/h1-7H
InChIKeySLHDFULGSFTZPG-UHFFFAOYSA-N
MW370.47 g/mol
LogP6.17
Rot. Bonds

About 1,7-dibromo-5-chlorophenanthrene

1,7-dibromo-5-chlorophenanthrene (PubChem CID 142721805) has the molecular formula C14H7Br2Cl and a molecular weight of 370.47 g/mol. Its IUPAC name is 1,7-dibromo-5-chlorophenanthrene.

Molecular Properties

Compound Name1,7-dibromo-5-chlorophenanthrene
PubChem CID142721805
Molecular FormulaC14H7Br2Cl
Molecular Weight370.47 g/mol
Exact Mass367.86
IUPAC Name1,7-dibromo-5-chlorophenanthrene
SMILESClc1cc(Br)cc2ccc3c(Br)cccc3c12
InChIInChI=1S/C14H7Br2Cl/c15-9-6-8-4-5-10-11(2-1-3-12(10)16)14(8)13(17)7-9/h1-7H
InChIKeySLHDFULGSFTZPG-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,8-dibromo-4-chloropyrene
CID 162349674
3,10-dibromoperylene
CID 11090875
1-bromonaphthalene;1-chloronaphthalene
CID 158194797
3,8-dibromonaphthalen-1-ol
CID 142668001
3-bromobenzo[e]pyrene
CID 12727091
3,8-dibromo-1-fluoronaphthalene
CID 23233890
4-bromo-7-(2-chlorophenyl)benzo[c]carbazole
CID 134436835
4-bromopyrene
CID 3014036
1,12-dibromo-2,3-dichlorobenzo[c]phenanthrene
CID 141434440
9-bromo-1-chloroanthracene
CID 165359177
8-bromophenanthren-1-ol
CID 171484061
15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
CID 87763316

Frequently Asked Questions

What is the IUPAC name of 1,7-dibromo-5-chlorophenanthrene?
The IUPAC name of 1,7-dibromo-5-chlorophenanthrene (CID 142721805) is 1,7-dibromo-5-chlorophenanthrene.
What is the SMILES notation for 1,7-dibromo-5-chlorophenanthrene?
The canonical SMILES for 1,7-dibromo-5-chlorophenanthrene is Clc1cc(Br)cc2ccc3c(Br)cccc3c12.
What is the InChIKey of 1,7-dibromo-5-chlorophenanthrene?
The InChIKey is SLHDFULGSFTZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2Cl/c15-9-6-8-4-5-10-11(2-1-3-12(10)16)14(8)13(17)7-9/h1-7H.
What are the key properties of 1,7-dibromo-5-chlorophenanthrene?
1,7-dibromo-5-chlorophenanthrene has a molecular weight of 370.47 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dibromo-5-chlorophenanthrene is sourced from PubChem (CID 142721805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).