(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone

C71H66ClN3O3 — CID 159355298

IUPAC(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H22ClNO.C24H23NO.C23H21NO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20;1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21;1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-7,9-14,16H,2-3,8,15H2,1H3;4-7,9-15,17H,2-3,8,16H2,1H3;4-14,16H,2-3,15H2,1H3
InChIKeyLHVQPNBRKUASTP-UHFFFAOYSA-N
MW1044.78 g/mol
LogP18.91
Rot. Bonds17

About (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone

(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone (PubChem CID 159355298) has the molecular formula C71H66ClN3O3 and a molecular weight of 1044.78 g/mol. Its IUPAC name is (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
PubChem CID159355298
Molecular FormulaC71H66ClN3O3
Molecular Weight1044.78 g/mol
Exact Mass1043.48
IUPAC Name(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H22ClNO.C24H23NO.C23H21NO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20;1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21;1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-7,9-14,16H,2-3,8,15H2,1H3;4-7,9-15,17H,2-3,8,16H2,1H3;4-14,16H,2-3,15H2,1H3
InChIKeyLHVQPNBRKUASTP-UHFFFAOYSA-N
XLogP18.91
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.78
LogP ≤ 518.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone with MolForge

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Related Compounds

(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 117065193
ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557581
[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 125181380
(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137

Frequently Asked Questions

What is the IUPAC name of (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone?
The IUPAC name of (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone (CID 159355298) is (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21.CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone?
The InChIKey is LHVQPNBRKUASTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO.C24H23NO.C23H21NO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20;1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21;1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-7,9-14,16H,2-3,8,15H2,1H3;4-7,9-15,17H,2-3,8,16H2,1H3;4-14,16H,2-3,15H2,1H3.
What are the key properties of (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone?
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone has a molecular weight of 1044.78 g/mol, XLogP of 18.91, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 159355298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).