4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde

C30H24O — CID 58544493

IUPAC4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde
SMILESCc1ccc(-c2c(-c3ccc(C=O)cc3)c3cc(C)ccc3c3ccc(C)cc23)cc1
InChIInChI=1S/C30H24O/c1-19-4-10-23(11-5-19)29-27-16-20(2)6-14-25(27)26-15-7-21(3)17-28(26)30(29)24-12-8-22(18-31)9-13-24/h4-18H,1-3H3
InChIKeyRJPUSFFNHGDJPE-UHFFFAOYSA-N
MW400.52 g/mol
LogP8.06
Rot. Bonds3

About 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde

4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde (PubChem CID 58544493) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde
PubChem CID58544493
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Name4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde
SMILESCc1ccc(-c2c(-c3ccc(C=O)cc3)c3cc(C)ccc3c3ccc(C)cc23)cc1
InChIInChI=1S/C30H24O/c1-19-4-10-23(11-5-19)29-27-16-20(2)6-14-25(27)26-15-7-21(3)17-28(26)30(29)24-12-8-22(18-31)9-13-24/h4-18H,1-3H3
InChIKeyRJPUSFFNHGDJPE-UHFFFAOYSA-N
XLogP8.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
CID 11462006
sodium;hydride;4-methylbenzaldehyde
CID 173013137
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde
CID 51350055
methane;4-(3-methylphenyl)benzaldehyde
CID 143253676
4-triphenylen-2-ylbenzaldehyde
CID 58078284
6-methylnaphthalene-2-carbaldehyde
CID 6452268
3-methyl-4-(4-methylphenyl)benzaldehyde
CID 81447593
9,10-diphenylphenanthrene-3-carbaldehyde
CID 102277124
dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
CID 160602999
2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene
CID 162426469

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde?
The IUPAC name of 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde (CID 58544493) is 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde.
What is the SMILES notation for 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde?
The canonical SMILES for 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde is Cc1ccc(-c2c(-c3ccc(C=O)cc3)c3cc(C)ccc3c3ccc(C)cc23)cc1.
What is the InChIKey of 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde?
The InChIKey is RJPUSFFNHGDJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O/c1-19-4-10-23(11-5-19)29-27-16-20(2)6-14-25(27)26-15-7-21(3)17-28(26)30(29)24-12-8-22(18-31)9-13-24/h4-18H,1-3H3.
What are the key properties of 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde?
4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde has a molecular weight of 400.52 g/mol, XLogP of 8.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde is sourced from PubChem (CID 58544493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).