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

C54H48N4Si — CID 88543375

IUPACbis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane
SMILESCC(C)Cc1ccc2c(c1)c1cnccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccncc4c4cc(CC(C)C)ccc43)cc2)cc1
InChIInChI=1S/C54H48N4Si/c1-37(2)31-39-15-25-51-47(33-39)49-35-55-29-27-53(49)57(51)41-17-21-45(22-18-41)59(43-11-7-5-8-12-43,44-13-9-6-10-14-44)46-23-19-42(20-24-46)58-52-26-16-40(32-38(3)4)34-48(52)50-36-56-30-28-54(50)58/h5-30,33-38H,31-32H2,1-4H3
InChIKeyHMYMUSAPXXDTSS-UHFFFAOYSA-N
MW781.09 g/mol
LogP10.45
Rot. Bonds10

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

bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane (PubChem CID 88543375) has the molecular formula C54H48N4Si and a molecular weight of 781.09 g/mol. Its IUPAC name is bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane.

Molecular Properties

Compound Namebis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane
PubChem CID88543375
Molecular FormulaC54H48N4Si
Molecular Weight781.09 g/mol
Exact Mass780.36
IUPAC Namebis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane
SMILESCC(C)Cc1ccc2c(c1)c1cnccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccncc4c4cc(CC(C)C)ccc43)cc2)cc1
InChIInChI=1S/C54H48N4Si/c1-37(2)31-39-15-25-51-47(33-39)49-35-55-29-27-53(49)57(51)41-17-21-45(22-18-41)59(43-11-7-5-8-12-43,44-13-9-6-10-14-44)46-23-19-42(20-24-46)58-52-26-16-40(32-38(3)4)34-48(52)50-36-56-30-28-54(50)58/h5-30,33-38H,31-32H2,1-4H3
InChIKeyHMYMUSAPXXDTSS-UHFFFAOYSA-N
XLogP10.45
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.09
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane?
The IUPAC name of bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane (CID 88543375) is bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane.
What is the SMILES notation for bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane?
The canonical SMILES for bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane is CC(C)Cc1ccc2c(c1)c1cnccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccncc4c4cc(CC(C)C)ccc43)cc2)cc1.
What is the InChIKey of bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane?
The InChIKey is HMYMUSAPXXDTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N4Si/c1-37(2)31-39-15-25-51-47(33-39)49-35-55-29-27-53(49)57(51)41-17-21-45(22-18-41)59(43-11-7-5-8-12-43,44-13-9-6-10-14-44)46-23-19-42(20-24-46)58-52-26-16-40(32-38(3)4)34-48(52)50-36-56-30-28-54(50)58/h5-30,33-38H,31-32H2,1-4H3.
What are the key properties of bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane?
bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane has a molecular weight of 781.09 g/mol, XLogP of 10.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 88543375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).