CID 176917250

C30H26N2Si- — CID 176917250

IUPAC—
SMILESC[Si-]1(C2CCCC2)n2c3ccccc3c3cccc(c32)-c2cccc3c4ccccc4n1c23
InChIInChI=1S/C30H26N2Si/c1-33(20-10-2-3-11-20)31-27-18-6-4-12-21(27)23-14-8-16-25(29(23)31)26-17-9-15-24-22-13-5-7-19-28(22)32(33)30(24)26/h4-9,12-20H,2-3,10-11H2,1H3/q-1
InChIKeyDWBBDUQPTXUHKV-UHFFFAOYSA-N
MW442.64 g/mol
LogP8.30
Rot. Bonds1

About CID 176917250

CID 176917250 (PubChem CID 176917250) has the molecular formula C30H26N2Si- and a molecular weight of 442.64 g/mol.

Molecular Properties

Compound NameCID 176917250
PubChem CID176917250
Molecular FormulaC30H26N2Si-
Molecular Weight442.64 g/mol
Exact Mass442.19
IUPAC Name—
SMILESC[Si-]1(C2CCCC2)n2c3ccccc3c3cccc(c32)-c2cccc3c4ccccc4n1c23
InChIInChI=1S/C30H26N2Si/c1-33(20-10-2-3-11-20)31-27-18-6-4-12-21(27)23-14-8-16-25(29(23)31)26-17-9-15-24-22-13-5-7-19-28(22)32(33)30(24)26/h4-9,12-20H,2-3,10-11H2,1H3/q-1
InChIKeyDWBBDUQPTXUHKV-UHFFFAOYSA-N
XLogP8.30
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-N,N-dimethyl-2-phenyl-
CID 42406
Indolo(1,7-ab)(1)benzazepine-2-methanamine, 6,7-dihydro-N,N-dimethyl-1-phenyl-
CID 42408
Indolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-N,2-dimethyl-N-(phenylmethyl)-, monohydrochloride
CID 3044575
Azipramine
CID 65468
9,9'-Bi-9H-carbazole
CID 225994
N,N-Dibenzyl-2-(6,7-dihydroindolo[1,7-ab][1]benzazepin-1-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 12268171
2,2'-Di(9H-carbazol-9-yl)biphenyl
CID 12046749
9,9'-Diethyl-9H,9'H-3,3'-bicarbazole
CID 12218945
9,9'-Di([1,1'-biphenyl]-4-yl)-9H,9'H-3,3'-bicarbazole
CID 59470031
1-Methyl-3-[(1-methyl-2-phenylindol-3-yl)methyl]-2-phenylindole
CID 12421586
9-Phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 23386665
9-Prop-2-enyl-3-(9-prop-2-enylcarbazol-3-yl)carbazole
CID 2825587

Frequently Asked Questions

What is the IUPAC name of CID 176917250?
The IUPAC name of CID 176917250 (CID 176917250) is not available.
What is the SMILES notation for CID 176917250?
The canonical SMILES for CID 176917250 is C[Si-]1(C2CCCC2)n2c3ccccc3c3cccc(c32)-c2cccc3c4ccccc4n1c23.
What is the InChIKey of CID 176917250?
The InChIKey is DWBBDUQPTXUHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2Si/c1-33(20-10-2-3-11-20)31-27-18-6-4-12-21(27)23-14-8-16-25(29(23)31)26-17-9-15-24-22-13-5-7-19-28(22)32(33)30(24)26/h4-9,12-20H,2-3,10-11H2,1H3/q-1.
What are the key properties of CID 176917250?
CID 176917250 has a molecular weight of 442.64 g/mol, XLogP of 8.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176917250 is sourced from PubChem (CID 176917250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).