anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone

C24H17NO — CID 10065533

IUPACanthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C24H17NO/c1-15-23(20-10-4-5-12-22(20)25-15)24(26)19-11-6-9-18-13-16-7-2-3-8-17(16)14-21(18)19/h2-14,25H,1H3
InChIKeyDZEJXBMHADGXCG-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.01
Rot. Bonds2

About anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone

anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 10065533) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Nameanthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
PubChem CID10065533
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Nameanthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C24H17NO/c1-15-23(20-10-4-5-12-22(20)25-15)24(26)19-11-6-9-18-13-16-7-2-3-8-17(16)14-21(18)19/h2-14,25H,1H3
InChIKeyDZEJXBMHADGXCG-UHFFFAOYSA-N
XLogP6.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 107949694
ethane;(2-methyl-1H-indol-3-yl)-(6-methyl-2-pyridinyl)methanone
CID 161168956
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
CID 170645728
CID 170645728
4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
CID 10422724
naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
CID 121305366
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 114021021
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690

Frequently Asked Questions

What is the IUPAC name of anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone (CID 10065533) is anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is DZEJXBMHADGXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-15-23(20-10-4-5-12-22(20)25-15)24(26)19-11-6-9-18-13-16-7-2-3-8-17(16)14-21(18)19/h2-14,25H,1H3.
What are the key properties of anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone?
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 10065533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).