1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one

C31H52N2OSi — CID 19096258

IUPAC1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one
SMILESCCCN(CCC)C1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(=O)C(C)(C)C)c(c23)C1
InChIInChI=1S/C31H52N2OSi/c1-12-16-32(17-13-2)25-18-24-20-33(35(21(3)4,22(5)6)23(7)8)28-15-14-26(27(19-25)29(24)28)30(34)31(9,10)11/h14-15,20-23,25H,12-13,16-19H2,1-11H3
InChIKeySGBRMXCKIPFKMX-UHFFFAOYSA-N
MW496.86 g/mol
LogP8.48
Rot. Bonds10

About 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one

1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one (PubChem CID 19096258) has the molecular formula C31H52N2OSi and a molecular weight of 496.86 g/mol. Its IUPAC name is 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one
PubChem CID19096258
Molecular FormulaC31H52N2OSi
Molecular Weight496.86 g/mol
Exact Mass496.38
IUPAC Name1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one
SMILESCCCN(CCC)C1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(=O)C(C)(C)C)c(c23)C1
InChIInChI=1S/C31H52N2OSi/c1-12-16-32(17-13-2)25-18-24-20-33(35(21(3)4,22(5)6)23(7)8)28-15-14-26(27(19-25)29(24)28)30(34)31(9,10)11/h14-15,20-23,25H,12-13,16-19H2,1-11H3
InChIKeySGBRMXCKIPFKMX-UHFFFAOYSA-N
XLogP8.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 58.48
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-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone
CID 19750803
(4S)-N,N-dipropyl-6-trimethylstannyl-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-4-amine
CID 11455931
4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indole-6-carbonitrile
CID 19096255
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone
CID 19710243
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
CID 139712498
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
CID 10087077
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one (CID 19096258) is 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one is CCCN(CCC)C1Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ccc(C(=O)C(C)(C)C)c(c23)C1.
What is the InChIKey of 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SGBRMXCKIPFKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52N2OSi/c1-12-16-32(17-13-2)25-18-24-20-33(35(21(3)4,22(5)6)23(7)8)28-15-14-26(27(19-25)29(24)28)30(34)31(9,10)11/h14-15,20-23,25H,12-13,16-19H2,1-11H3.
What are the key properties of 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one?
1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one has a molecular weight of 496.86 g/mol, XLogP of 8.48, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 19096258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).