9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde

C32H24O2 — CID 174280373

IUPAC9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde
SMILESO=CC1(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc2Oc2ccccc21
InChIInChI=1S/C32H24O2/c33-20-32(28-11-3-5-14-30(28)34-31-15-6-4-12-29(31)32)27-13-7-10-23-25-17-16-21-8-1-2-9-22(21)24(25)18-19-26(23)27/h1-6,8-9,11-12,14-20,27H,7,10,13H2
InChIKeyQKTLRHZJZYJOMI-UHFFFAOYSA-N
MW440.54 g/mol
LogP7.70
Rot. Bonds2

About 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde

9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde (PubChem CID 174280373) has the molecular formula C32H24O2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde.

Molecular Properties

Compound Name9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde
PubChem CID174280373
Molecular FormulaC32H24O2
Molecular Weight440.54 g/mol
Exact Mass440.18
IUPAC Name9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde
SMILESO=CC1(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc2Oc2ccccc21
InChIInChI=1S/C32H24O2/c33-20-32(28-11-3-5-14-30(28)34-31-15-6-4-12-29(31)32)27-13-7-10-23-25-17-16-21-8-1-2-9-22(21)24(25)18-19-26(23)27/h1-6,8-9,11-12,14-20,27H,7,10,13H2
InChIKeyQKTLRHZJZYJOMI-UHFFFAOYSA-N
XLogP7.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,3,4-tetrahydrochrysen-1-yl)furan
CID 174587497
1-chloro-1,2,3,4-tetrahydrochrysene;1-phenylethanone
CID 174825712
azane;1,2,3,4-tetrahydrochrysen-1-amine;hydrate
CID 174715110
1-(bromomethyl)-1,2,3,4-tetrahydrochrysene
CID 174632843
2-(1,2,3,4-tetrahydrochrysen-1-yl)quinoline-4-carbaldehyde
CID 174596585
3-(1,2,3,4-tetrahydrochrysen-1-yl)propan-1-ol
CID 174262424
benzoyl benzoate;1-methyl-1,2,3,4-tetrahydrochrysene
CID 174434035
2-(1,2,3,4-tetrahydrochrysen-1-yl)-2H-1,3-benzoxazole-3-carboxamide
CID 175320795
4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
CID 174447083
1-[(E)-3-phenylprop-2-enyl]-1,2,3,4-tetrahydrochrysene
CID 174369530
naphthalene;6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
CID 174496673
azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride
CID 175285254

Frequently Asked Questions

What is the IUPAC name of 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde?
The IUPAC name of 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde (CID 174280373) is 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde.
What is the SMILES notation for 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde?
The canonical SMILES for 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde is O=CC1(C2CCCc3c2ccc2c3ccc3ccccc32)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde?
The InChIKey is QKTLRHZJZYJOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O2/c33-20-32(28-11-3-5-14-30(28)34-31-15-6-4-12-29(31)32)27-13-7-10-23-25-17-16-21-8-1-2-9-22(21)24(25)18-19-26(23)27/h1-6,8-9,11-12,14-20,27H,7,10,13H2.
What are the key properties of 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde?
9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde has a molecular weight of 440.54 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2,3,4-tetrahydrochrysen-1-yl)xanthene-9-carbaldehyde is sourced from PubChem (CID 174280373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).