methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane

C47H38Si — CID 19078450

IUPACmethyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane
SMILESCC1=C(c2cccc3ccccc23)c2c(cccc2[Si](C)(c2ccccc2)c2cccc3c2C(c2cccc4ccccc24)=C(C)C3)C1
InChIInChI=1S/C47H38Si/c1-31-29-35-19-13-27-42(46(35)44(31)40-25-11-17-33-15-7-9-23-38(33)40)48(3,37-21-5-4-6-22-37)43-28-14-20-36-30-32(2)45(47(36)43)41-26-12-18-34-16-8-10-24-39(34)41/h4-28H,29-30H2,1-3H3
InChIKeyRVPTXJGUDGMJES-UHFFFAOYSA-N
MW630.91 g/mol
LogP9.85
Rot. Bonds5

About methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane

methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane (PubChem CID 19078450) has the molecular formula C47H38Si and a molecular weight of 630.91 g/mol. Its IUPAC name is methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane.

Molecular Properties

Compound Namemethyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane
PubChem CID19078450
Molecular FormulaC47H38Si
Molecular Weight630.91 g/mol
Exact Mass630.27
IUPAC Namemethyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane
SMILESCC1=C(c2cccc3ccccc23)c2c(cccc2[Si](C)(c2ccccc2)c2cccc3c2C(c2cccc4ccccc24)=C(C)C3)C1
InChIInChI=1S/C47H38Si/c1-31-29-35-19-13-27-42(46(35)44(31)40-25-11-17-33-15-7-9-23-38(33)40)48(3,37-21-5-4-6-22-37)43-28-14-20-36-30-32(2)45(47(36)43)41-26-12-18-34-16-8-10-24-39(34)41/h4-28H,29-30H2,1-3H3
InChIKeyRVPTXJGUDGMJES-UHFFFAOYSA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.91
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane
CID 23510663
(4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane
CID 101072929
bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane
CID 102005003
methyl-naphthalen-1-yl-phenyl-prop-2-enylsilane
CID 12598487
methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane
CID 123285299
(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane
CID 13056160
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
CID 87864949
dimethyl-naphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]silane
CID 123357523
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane
CID 123697504

Frequently Asked Questions

What is the IUPAC name of methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane?
The IUPAC name of methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane (CID 19078450) is methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane.
What is the SMILES notation for methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane?
The canonical SMILES for methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane is CC1=C(c2cccc3ccccc23)c2c(cccc2[Si](C)(c2ccccc2)c2cccc3c2C(c2cccc4ccccc24)=C(C)C3)C1.
What is the InChIKey of methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane?
The InChIKey is RVPTXJGUDGMJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38Si/c1-31-29-35-19-13-27-42(46(35)44(31)40-25-11-17-33-15-7-9-23-38(33)40)48(3,37-21-5-4-6-22-37)43-28-14-20-36-30-32(2)45(47(36)43)41-26-12-18-34-16-8-10-24-39(34)41/h4-28H,29-30H2,1-3H3.
What are the key properties of methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane?
methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane has a molecular weight of 630.91 g/mol, XLogP of 9.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane is sourced from PubChem (CID 19078450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).