3-trityl-1H-indene

C28H22 — CID 15667992

IUPAC3-trityl-1H-indene
SMILESC1=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2C1
InChIInChI=1S/C28H22/c1-4-13-23(14-5-1)28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27/h1-19,21H,20H2
InChIKeyNJRFNPIRWLMFPM-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.66
Rot. Bonds4

About 3-trityl-1H-indene

3-trityl-1H-indene (PubChem CID 15667992) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-trityl-1H-indene.

Molecular Properties

Compound Name3-trityl-1H-indene
PubChem CID15667992
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name3-trityl-1H-indene
SMILESC1=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2C1
InChIInChI=1S/C28H22/c1-4-13-23(14-5-1)28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27/h1-19,21H,20H2
InChIKeyNJRFNPIRWLMFPM-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-inden-1-yl)-2-methylpropan-1-amine
CID 105442824
[(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene
CID 173472951
ethane;3-methyl-1H-indene
CID 90920725
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
3-[4-(trifluoromethyl)phenyl]-1H-indene
CID 90234386
N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine
CID 172697347
CID 18314663
CID 18314663
3-(chloromethyl)-1H-indene
CID 55301076
9H-benzo[7]annulene-5,7-diol
CID 143638866
ethane;3H-inden-1-yl(dimethyl)borane
CID 90749071
(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine
CID 145340322
3,5-ditert-butyl-1H-indene
CID 20675508

Frequently Asked Questions

What is the IUPAC name of 3-trityl-1H-indene?
The IUPAC name of 3-trityl-1H-indene (CID 15667992) is 3-trityl-1H-indene.
What is the SMILES notation for 3-trityl-1H-indene?
The canonical SMILES for 3-trityl-1H-indene is C1=C(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2C1.
What is the InChIKey of 3-trityl-1H-indene?
The InChIKey is NJRFNPIRWLMFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-4-13-23(14-5-1)28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)27-21-20-22-12-10-11-19-26(22)27/h1-19,21H,20H2.
What are the key properties of 3-trityl-1H-indene?
3-trityl-1H-indene has a molecular weight of 358.48 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trityl-1H-indene is sourced from PubChem (CID 15667992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).