hexahelicene-2,15-dicarbaldehyde

C28H16O2 — CID 10667716

IUPAChexahelicene-2,15-dicarbaldehyde
SMILESO=Cc1ccc2ccc3ccc4ccc5ccc6ccc(C=O)cc6c5c4c3c2c1
InChIInChI=1S/C28H16O2/c29-15-17-1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-18(16-30)14-25(20)27(22)28(23)26(21)24(19)13-17/h1-16H
InChIKeyKYPHGJQDKVGFRE-UHFFFAOYSA-N
MW384.43 g/mol
LogP7.08
Rot. Bonds2

About hexahelicene-2,15-dicarbaldehyde

hexahelicene-2,15-dicarbaldehyde (PubChem CID 10667716) has the molecular formula C28H16O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is hexahelicene-2,15-dicarbaldehyde.

Molecular Properties

Compound Namehexahelicene-2,15-dicarbaldehyde
PubChem CID10667716
Molecular FormulaC28H16O2
Molecular Weight384.43 g/mol
Exact Mass384.12
IUPAC Namehexahelicene-2,15-dicarbaldehyde
SMILESO=Cc1ccc2ccc3ccc4ccc5ccc6ccc(C=O)cc6c5c4c3c2c1
InChIInChI=1S/C28H16O2/c29-15-17-1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-18(16-30)14-25(20)27(22)28(23)26(21)24(19)13-17/h1-16H
InChIKeyKYPHGJQDKVGFRE-UHFFFAOYSA-N
XLogP7.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 57.08
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'}

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Related Compounds

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CID 159038637
2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene-6,20-dicarbaldehyde
CID 15440148
4-[6-(4-formylphenyl)pyren-1-yl]benzaldehyde
CID 154730441
2-ethenylhexahelicene
CID 71739612
5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde
CID 59034797
9,10-dimethylanthracene-2-carbaldehyde
CID 135149055
1-methylphenanthrene-3-carbaldehyde
CID 100959540
5,7-difluoronaphthalene-2-carbaldehyde
CID 10845407
6-methylnaphthalene-2-carbaldehyde
CID 6452268
ethanamine;naphthalene-2-carbaldehyde
CID 143882987
5-bromonaphthalene-2-carbaldehyde
CID 2750349
9,10-diphenylphenanthrene-3-carbaldehyde
CID 102277124

Frequently Asked Questions

What is the IUPAC name of hexahelicene-2,15-dicarbaldehyde?
The IUPAC name of hexahelicene-2,15-dicarbaldehyde (CID 10667716) is hexahelicene-2,15-dicarbaldehyde.
What is the SMILES notation for hexahelicene-2,15-dicarbaldehyde?
The canonical SMILES for hexahelicene-2,15-dicarbaldehyde is O=Cc1ccc2ccc3ccc4ccc5ccc6ccc(C=O)cc6c5c4c3c2c1.
What is the InChIKey of hexahelicene-2,15-dicarbaldehyde?
The InChIKey is KYPHGJQDKVGFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16O2/c29-15-17-1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-18(16-30)14-25(20)27(22)28(23)26(21)24(19)13-17/h1-16H.
What are the key properties of hexahelicene-2,15-dicarbaldehyde?
hexahelicene-2,15-dicarbaldehyde has a molecular weight of 384.43 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexahelicene-2,15-dicarbaldehyde is sourced from PubChem (CID 10667716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).