bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane

C46H48N4Si — CID 67988479

IUPACbis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane
SMILESCC(C)(C)Cc1ccc2c(c1)c1cnccc1n2-c1ccc([Si](C)(C)c2ccc(-n3c4ccncc4c4cc(CC(C)(C)C)ccc43)cc2)cc1
InChIInChI=1S/C46H48N4Si/c1-45(2,3)27-31-9-19-41-37(25-31)39-29-47-23-21-43(39)49(41)33-11-15-35(16-12-33)51(7,8)36-17-13-34(14-18-36)50-42-20-10-32(28-46(4,5)6)26-38(42)40-30-48-24-22-44(40)50/h9-26,29-30H,27-28H2,1-8H3
InChIKeyZHWBAAYREXTPKI-UHFFFAOYSA-N
MW685.00 g/mol
LogP10.67
Rot. Bonds6

About bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane

bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane (PubChem CID 67988479) has the molecular formula C46H48N4Si and a molecular weight of 685.00 g/mol. Its IUPAC name is bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane
PubChem CID67988479
Molecular FormulaC46H48N4Si
Molecular Weight685.00 g/mol
Exact Mass684.36
IUPAC Namebis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane
SMILESCC(C)(C)Cc1ccc2c(c1)c1cnccc1n2-c1ccc([Si](C)(C)c2ccc(-n3c4ccncc4c4cc(CC(C)(C)C)ccc43)cc2)cc1
InChIInChI=1S/C46H48N4Si/c1-45(2,3)27-31-9-19-41-37(25-31)39-29-47-23-21-43(39)49(41)33-11-15-35(16-12-33)51(7,8)36-17-13-34(14-18-36)50-42-20-10-32(28-46(4,5)6)26-38(42)40-30-48-24-22-44(40)50/h9-26,29-30H,27-28H2,1-8H3
InChIKeyZHWBAAYREXTPKI-UHFFFAOYSA-N
XLogP10.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.00
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane?
The IUPAC name of bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane (CID 67988479) is bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane.
What is the SMILES notation for bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane?
The canonical SMILES for bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane is CC(C)(C)Cc1ccc2c(c1)c1cnccc1n2-c1ccc([Si](C)(C)c2ccc(-n3c4ccncc4c4cc(CC(C)(C)C)ccc43)cc2)cc1.
What is the InChIKey of bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane?
The InChIKey is ZHWBAAYREXTPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4Si/c1-45(2,3)27-31-9-19-41-37(25-31)39-29-47-23-21-43(39)49(41)33-11-15-35(16-12-33)51(7,8)36-17-13-34(14-18-36)50-42-20-10-32(28-46(4,5)6)26-38(42)40-30-48-24-22-44(40)50/h9-26,29-30H,27-28H2,1-8H3.
What are the key properties of bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane?
bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane has a molecular weight of 685.00 g/mol, XLogP of 10.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane is sourced from PubChem (CID 67988479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).