[6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone

C48H38O6S — CID 139711837

IUPAC[6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone
SMILESCOc1cc(C)c2cc(C(=O)c3ccc4cc(S(=O)(=O)c5ccc6cc(C(=O)c7ccc8c(C)c(OC)cc(C)c8c7)ccc6c5)ccc4c3)ccc2c1C
InChIInChI=1S/C48H38O6S/c1-27-19-45(53-5)29(3)41-17-13-37(25-43(27)41)47(49)35-9-7-33-23-39(15-11-31(33)21-35)55(51,52)40-16-12-32-22-36(10-8-34(32)24-40)48(50)38-14-18-42-30(4)46(54-6)20-28(2)44(42)26-38/h7-26H,1-6H3
InChIKeyKOMOJBFCMJWAKP-UHFFFAOYSA-N
MW742.89 g/mol
LogP10.85
Rot. Bonds8

About [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone

[6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone (PubChem CID 139711837) has the molecular formula C48H38O6S and a molecular weight of 742.89 g/mol. Its IUPAC name is [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone
PubChem CID139711837
Molecular FormulaC48H38O6S
Molecular Weight742.89 g/mol
Exact Mass742.24
IUPAC Name[6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone
SMILESCOc1cc(C)c2cc(C(=O)c3ccc4cc(S(=O)(=O)c5ccc6cc(C(=O)c7ccc8c(C)c(OC)cc(C)c8c7)ccc6c5)ccc4c3)ccc2c1C
InChIInChI=1S/C48H38O6S/c1-27-19-45(53-5)29(3)41-17-13-37(25-43(27)41)47(49)35-9-7-33-23-39(15-11-31(33)21-35)55(51,52)40-16-12-32-22-36(10-8-34(32)24-40)48(50)38-14-18-42-30(4)46(54-6)20-28(2)44(42)26-38/h7-26H,1-6H3
InChIKeyKOMOJBFCMJWAKP-UHFFFAOYSA-N
XLogP10.85
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone with MolForge

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Related Compounds

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CID 72699341
(2S)-2-[2,2-bis(benzenesulfonyl)ethyl]-2-fluoro-6-methoxy-3,4-dihydronaphthalen-1-one
CID 134962252
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CID 163297716
6-Methoxy-3-thiahexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4(9),5,7,12,14,16(24),17,19,21-undecaen-10-one
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CID 68518784
1-(4-Fluorophenyl)-4-(4-methoxyphenyl)thioxanthen-9-one
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Frequently Asked Questions

What is the IUPAC name of [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone?
The IUPAC name of [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone (CID 139711837) is [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone.
What is the SMILES notation for [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone?
The canonical SMILES for [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone is COc1cc(C)c2cc(C(=O)c3ccc4cc(S(=O)(=O)c5ccc6cc(C(=O)c7ccc8c(C)c(OC)cc(C)c8c7)ccc6c5)ccc4c3)ccc2c1C.
What is the InChIKey of [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone?
The InChIKey is KOMOJBFCMJWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38O6S/c1-27-19-45(53-5)29(3)41-17-13-37(25-43(27)41)47(49)35-9-7-33-23-39(15-11-31(33)21-35)55(51,52)40-16-12-32-22-36(10-8-34(32)24-40)48(50)38-14-18-42-30(4)46(54-6)20-28(2)44(42)26-38/h7-26H,1-6H3.
What are the key properties of [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone?
[6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone has a molecular weight of 742.89 g/mol, XLogP of 10.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(6-methoxy-5,8-dimethylnaphthalene-2-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(6-methoxy-5,8-dimethylnaphthalen-2-yl)methanone is sourced from PubChem (CID 139711837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).