(3,6-dibromocarbazol-9-yl)-triphenylsilane

C30H21Br2NSi — CID 58131163

IUPAC(3,6-dibromocarbazol-9-yl)-triphenylsilane
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H21Br2NSi/c31-22-16-18-29-27(20-22)28-21-23(32)17-19-30(28)33(29)34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H
InChIKeyIVQMKRVPLRKRLZ-UHFFFAOYSA-N
MW583.40 g/mol
LogP6.83
Rot. Bonds4

About (3,6-dibromocarbazol-9-yl)-triphenylsilane

(3,6-dibromocarbazol-9-yl)-triphenylsilane (PubChem CID 58131163) has the molecular formula C30H21Br2NSi and a molecular weight of 583.40 g/mol. Its IUPAC name is (3,6-dibromocarbazol-9-yl)-triphenylsilane.

Molecular Properties

Compound Name(3,6-dibromocarbazol-9-yl)-triphenylsilane
PubChem CID58131163
Molecular FormulaC30H21Br2NSi
Molecular Weight583.40 g/mol
Exact Mass580.98
IUPAC Name(3,6-dibromocarbazol-9-yl)-triphenylsilane
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H21Br2NSi/c31-22-16-18-29-27(20-22)28-21-23(32)17-19-30(28)33(29)34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H
InChIKeyIVQMKRVPLRKRLZ-UHFFFAOYSA-N
XLogP6.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.40
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,6-dibromocarbazol-9-yl)-triphenylsilane?
The IUPAC name of (3,6-dibromocarbazol-9-yl)-triphenylsilane (CID 58131163) is (3,6-dibromocarbazol-9-yl)-triphenylsilane.
What is the SMILES notation for (3,6-dibromocarbazol-9-yl)-triphenylsilane?
The canonical SMILES for (3,6-dibromocarbazol-9-yl)-triphenylsilane is Brc1ccc2c(c1)c1cc(Br)ccc1n2[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,6-dibromocarbazol-9-yl)-triphenylsilane?
The InChIKey is IVQMKRVPLRKRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Br2NSi/c31-22-16-18-29-27(20-22)28-21-23(32)17-19-30(28)33(29)34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H.
What are the key properties of (3,6-dibromocarbazol-9-yl)-triphenylsilane?
(3,6-dibromocarbazol-9-yl)-triphenylsilane has a molecular weight of 583.40 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dibromocarbazol-9-yl)-triphenylsilane is sourced from PubChem (CID 58131163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).