2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane

C30H35NSi — CID 122224652

IUPAC2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc2ccn(C)c2c1-c1cccc2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C30H35NSi/c1-21(2)32(22(3)4,23(5)6)20-18-25-15-16-26-17-19-31(7)30(26)29(25)28-14-10-12-24-11-8-9-13-27(24)28/h8-17,19,21-23H,1-7H3
InChIKeyNNLPJPWHJBFKLI-UHFFFAOYSA-N
MW437.70 g/mol
LogP8.57
Rot. Bonds4

About 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane

2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 122224652) has the molecular formula C30H35NSi and a molecular weight of 437.70 g/mol. Its IUPAC name is 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID122224652
Molecular FormulaC30H35NSi
Molecular Weight437.70 g/mol
Exact Mass437.25
IUPAC Name2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc2ccn(C)c2c1-c1cccc2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C30H35NSi/c1-21(2)32(22(3)4,23(5)6)20-18-25-15-16-26-17-19-31(7)30(26)29(25)28-14-10-12-24-11-8-9-13-27(24)28/h8-17,19,21-23H,1-7H3
InChIKeyNNLPJPWHJBFKLI-UHFFFAOYSA-N
XLogP8.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-8-[2-tri(propan-2-yl)silylethynyl]isoquinolin-1-one
CID 132602501
2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane
CID 140861263
2-[13-(4-naphthalen-1-ylphenyl)pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 102336484
tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane
CID 101376385
CID 177483660
CID 177483660
trimethyl-[2-[2-naphthalen-1-yl-3-[2-(2-trimethylsilylethynyl)azulen-1-yl]phenyl]ethynyl]silane
CID 164676030
2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride
CID 142472984
1-ethynylpentacene;2-pentacen-1-ylethynyl-tri(propan-2-yl)silane
CID 162196732
[(E)-3,4-bis[2-[4-(12,12,14,14-tetraoxo-12λ6,14λ6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 70678090
9,18-bis[2-tri(propan-2-yl)silylethynyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione
CID 102442250
12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123249303
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane (CID 122224652) is 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1ccc2ccn(C)c2c1-c1cccc2ccccc12)(C(C)C)C(C)C.
What is the InChIKey of 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is NNLPJPWHJBFKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NSi/c1-21(2)32(22(3)4,23(5)6)20-18-25-15-16-26-17-19-31(7)30(26)29(25)28-14-10-12-24-11-8-9-13-27(24)28/h8-17,19,21-23H,1-7H3.
What are the key properties of 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane?
2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 437.70 g/mol, XLogP of 8.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-7-naphthalen-1-ylindol-6-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 122224652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).