CID 89213448

C18H11BBrN — CID 89213448

IUPAC—
SMILES[B]c1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1
InChIInChI=1S/C18H11BBrN/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H
InChIKeyMPWWXZDLLOIIEU-UHFFFAOYSA-N
MW332.01 g/mol
LogP4.34
Rot. Bonds1

About CID 89213448

CID 89213448 (PubChem CID 89213448) has the molecular formula C18H11BBrN and a molecular weight of 332.01 g/mol.

Molecular Properties

Compound NameCID 89213448
PubChem CID89213448
Molecular FormulaC18H11BBrN
Molecular Weight332.01 g/mol
Exact Mass331.02
IUPAC Name—
SMILES[B]c1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1
InChIInChI=1S/C18H11BBrN/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H
InChIKeyMPWWXZDLLOIIEU-UHFFFAOYSA-N
XLogP4.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.01
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine
CID 161460507
6-bromo-1,2,9-triphenylcarbazole
CID 142745273
CID 163822148
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3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291
4-(3,6-dibromocarbazol-9-yl)benzenediazonium
CID 122390307
5-bromo-3-ethenyl-2-methyl-1-phenylindole
CID 123907696
CID 88946984
CID 88946984
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
CID 163503473
CID 163503473

Frequently Asked Questions

What is the IUPAC name of CID 89213448?
The IUPAC name of CID 89213448 (CID 89213448) is not available.
What is the SMILES notation for CID 89213448?
The canonical SMILES for CID 89213448 is [B]c1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1.
What is the InChIKey of CID 89213448?
The InChIKey is MPWWXZDLLOIIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BBrN/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H.
What are the key properties of CID 89213448?
CID 89213448 has a molecular weight of 332.01 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89213448 is sourced from PubChem (CID 89213448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).