[6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone

C50H50O4S — CID 139711832

IUPAC[6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone
SMILESCC1C(C)(C)c2ccc(C(=O)c3ccc4cc(S(=O)(=O)c5ccc6cc(C(=O)c7ccc8c(c7)C(C)(C)C(C)C8(C)C)ccc6c5)ccc4c3)cc2C1(C)C
InChIInChI=1S/C50H50O4S/c1-29-47(3,4)41-21-17-37(27-43(41)49(29,7)8)45(51)35-13-11-33-25-39(19-15-31(33)23-35)55(53,54)40-20-16-32-24-36(14-12-34(32)26-40)46(52)38-18-22-42-44(28-38)50(9,10)30(2)48(42,5)6/h11-30H,1-10H3
InChIKeyOZSZZWVUZPKMDW-UHFFFAOYSA-N
MW747.01 g/mol
LogP11.70
Rot. Bonds6

About [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone

[6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone (PubChem CID 139711832) has the molecular formula C50H50O4S and a molecular weight of 747.01 g/mol. Its IUPAC name is [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone.

Molecular Properties

Compound Name[6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone
PubChem CID139711832
Molecular FormulaC50H50O4S
Molecular Weight747.01 g/mol
Exact Mass746.34
IUPAC Name[6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone
SMILESCC1C(C)(C)c2ccc(C(=O)c3ccc4cc(S(=O)(=O)c5ccc6cc(C(=O)c7ccc8c(c7)C(C)(C)C(C)C8(C)C)ccc6c5)ccc4c3)cc2C1(C)C
InChIInChI=1S/C50H50O4S/c1-29-47(3,4)41-21-17-37(27-43(41)49(29,7)8)45(51)35-13-11-33-25-39(19-15-31(33)23-35)55(53,54)40-20-16-32-24-36(14-12-34(32)26-40)46(52)38-18-22-42-44(28-38)50(9,10)30(2)48(42,5)6/h11-30H,1-10H3
InChIKeyOZSZZWVUZPKMDW-UHFFFAOYSA-N
XLogP11.70
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.01
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone?
The IUPAC name of [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone (CID 139711832) is [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone.
What is the SMILES notation for [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone?
The canonical SMILES for [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone is CC1C(C)(C)c2ccc(C(=O)c3ccc4cc(S(=O)(=O)c5ccc6cc(C(=O)c7ccc8c(c7)C(C)(C)C(C)C8(C)C)ccc6c5)ccc4c3)cc2C1(C)C.
What is the InChIKey of [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone?
The InChIKey is OZSZZWVUZPKMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50O4S/c1-29-47(3,4)41-21-17-37(27-43(41)49(29,7)8)45(51)35-13-11-33-25-39(19-15-31(33)23-35)55(53,54)40-20-16-32-24-36(14-12-34(32)26-40)46(52)38-18-22-42-44(28-38)50(9,10)30(2)48(42,5)6/h11-30H,1-10H3.
What are the key properties of [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone?
[6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone has a molecular weight of 747.01 g/mol, XLogP of 11.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)naphthalen-2-yl]sulfonylnaphthalen-2-yl]-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methanone is sourced from PubChem (CID 139711832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).