5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde

C27H18N2O2 — CID 10960411

IUPAC5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde
SMILESCn1c(-c2cc(C=O)c(-c3ccccc3)o2)nc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C27H18N2O2/c1-29-25-22-14-8-6-12-20(22)19-11-5-7-13-21(19)24(25)28-27(29)23-15-18(16-30)26(31-23)17-9-3-2-4-10-17/h2-16H,1H3
InChIKeyJOQTXBDDSXUJBT-UHFFFAOYSA-N
MW402.45 g/mol
LogP6.62
Rot. Bonds3

About 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde

5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde (PubChem CID 10960411) has the molecular formula C27H18N2O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde
PubChem CID10960411
Molecular FormulaC27H18N2O2
Molecular Weight402.45 g/mol
Exact Mass402.14
IUPAC Name5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde
SMILESCn1c(-c2cc(C=O)c(-c3ccccc3)o2)nc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C27H18N2O2/c1-29-25-22-14-8-6-12-20(22)19-11-5-7-13-21(19)24(25)28-27(29)23-15-18(16-30)26(31-23)17-9-3-2-4-10-17/h2-16H,1H3
InChIKeyJOQTXBDDSXUJBT-UHFFFAOYSA-N
XLogP6.62
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-(3-methylphenanthro[9,10-d]imidazol-2-yl)furan-2-yl]benzaldehyde
CID 11732161
5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde
CID 132533984
2-(5-methylfuran-2-yl)-5-phenylfuran-3-carbaldehyde
CID 132533986
2-methyl-5-phenylfuran-3-carbaldehyde
CID 2795313
1-methyl-3-phenylindazole-7-carbaldehyde
CID 105497737
[2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone
CID 15544258
(2-phenylphenanthro[9,10-d]imidazol-3-yl) acetate
CID 14029044
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
5-(2-phenylphenanthro[9,10-d]imidazol-3-yl)benzene-1,3-dicarboxylic acid
CID 163775550
2-[4-(3-methylphenanthro[9,10-d]imidazol-2-yl)phenoxy]ethyl prop-2-enoate
CID 59510310
1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
CID 21107908
4-methyl-3-phenylnaphthalene-2-carbaldehyde
CID 102040919

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde?
The IUPAC name of 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde (CID 10960411) is 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde.
What is the SMILES notation for 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde?
The canonical SMILES for 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde is Cn1c(-c2cc(C=O)c(-c3ccccc3)o2)nc2c3ccccc3c3ccccc3c21.
What is the InChIKey of 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde?
The InChIKey is JOQTXBDDSXUJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O2/c1-29-25-22-14-8-6-12-20(22)19-11-5-7-13-21(19)24(25)28-27(29)23-15-18(16-30)26(31-23)17-9-3-2-4-10-17/h2-16H,1H3.
What are the key properties of 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde?
5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde has a molecular weight of 402.45 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenanthro[9,10-d]imidazol-2-yl)-2-phenylfuran-3-carbaldehyde is sourced from PubChem (CID 10960411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).