trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane

C38H38N2OSi — CID 176583988

IUPACtrimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc([Si](C)(C)C)cc(C(C)C)c1-n1c(-c2cccc3c2oc2c4ccccc4ccc32)nc2ccccc21
InChIInChI=1S/C38H38N2OSi/c1-23(2)31-21-26(42(5,6)7)22-32(24(3)4)35(31)40-34-18-11-10-17-33(34)39-38(40)30-16-12-15-28-29-20-19-25-13-8-9-14-27(25)36(29)41-37(28)30/h8-24H,1-7H3
InChIKeyCLYOHJDQMCNMEI-UHFFFAOYSA-N
MW566.82 g/mol
LogP10.54
Rot. Bonds5

About trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane

trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane (PubChem CID 176583988) has the molecular formula C38H38N2OSi and a molecular weight of 566.82 g/mol. Its IUPAC name is trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
PubChem CID176583988
Molecular FormulaC38H38N2OSi
Molecular Weight566.82 g/mol
Exact Mass566.28
IUPAC Nametrimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc([Si](C)(C)C)cc(C(C)C)c1-n1c(-c2cccc3c2oc2c4ccccc4ccc32)nc2ccccc21
InChIInChI=1S/C38H38N2OSi/c1-23(2)31-21-26(42(5,6)7)22-32(24(3)4)35(31)40-34-18-11-10-17-33(34)39-38(40)30-16-12-15-28-29-20-19-25-13-8-9-14-27(25)36(29)41-37(28)30/h8-24H,1-7H3
InChIKeyCLYOHJDQMCNMEI-UHFFFAOYSA-N
XLogP10.54
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.82
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole
CID 167339206
trimethyl-[4-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]phenyl]germane
CID 168743438
2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 156659584
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline
CID 176752056
1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)benzimidazole
CID 156657597
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-oxa-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 176823259
6-[1-[4-[methyl(diphenyl)silyl]-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542709

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane?
The IUPAC name of trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane (CID 176583988) is trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane.
What is the SMILES notation for trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane?
The canonical SMILES for trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane is CC(C)c1cc([Si](C)(C)C)cc(C(C)C)c1-n1c(-c2cccc3c2oc2c4ccccc4ccc32)nc2ccccc21.
What is the InChIKey of trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane?
The InChIKey is CLYOHJDQMCNMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N2OSi/c1-23(2)31-21-26(42(5,6)7)22-32(24(3)4)35(31)40-34-18-11-10-17-33(34)39-38(40)30-16-12-15-28-29-20-19-25-13-8-9-14-27(25)36(29)41-37(28)30/h8-24H,1-7H3.
What are the key properties of trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane?
trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane has a molecular weight of 566.82 g/mol, XLogP of 10.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane is sourced from PubChem (CID 176583988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).