[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone

C64H50O5 — CID 141279941

IUPAC[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone
SMILESCc1cc(Oc2cc(C)c(C(=O)c3c(C)ccc4ccccc34)c(C(=O)c3c(C)ccc4ccccc34)c2C)c(C)c(C(=O)c2c(C)ccc3ccccc23)c1C(=O)c1c(C)ccc2ccccc12
InChIInChI=1S/C64H50O5/c1-35-25-29-43-17-9-13-21-47(43)53(35)61(65)57-39(5)33-51(41(7)59(57)63(67)55-37(3)27-31-45-19-11-15-23-49(45)55)69-52-34-40(6)58(62(66)54-36(2)26-30-44-18-10-14-22-48(44)54)60(42(52)8)64(68)56-38(4)28-32-46-20-12-16-24-50(46)56/h9-34H,1-8H3
InChIKeyNSHOMVSMSNJUPF-UHFFFAOYSA-N
MW899.10 g/mol
LogP15.48
Rot. Bonds10

About [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone

[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone (PubChem CID 141279941) has the molecular formula C64H50O5 and a molecular weight of 899.10 g/mol. Its IUPAC name is [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone
PubChem CID141279941
Molecular FormulaC64H50O5
Molecular Weight899.10 g/mol
Exact Mass898.37
IUPAC Name[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone
SMILESCc1cc(Oc2cc(C)c(C(=O)c3c(C)ccc4ccccc34)c(C(=O)c3c(C)ccc4ccccc34)c2C)c(C)c(C(=O)c2c(C)ccc3ccccc23)c1C(=O)c1c(C)ccc2ccccc12
InChIInChI=1S/C64H50O5/c1-35-25-29-43-17-9-13-21-47(43)53(35)61(65)57-39(5)33-51(41(7)59(57)63(67)55-37(3)27-31-45-19-11-15-23-49(45)55)69-52-34-40(6)58(62(66)54-36(2)26-30-44-18-10-14-22-48(44)54)60(42(52)8)64(68)56-38(4)28-32-46-20-12-16-24-50(46)56/h9-34H,1-8H3
InChIKeyNSHOMVSMSNJUPF-UHFFFAOYSA-N
XLogP15.48
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.10
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone with MolForge

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Related Compounds

(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
[2-(difluoromethoxy)naphthalen-1-yl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 19598102
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771
methyl 4-(2-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82550346
(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone (CID 141279941) is [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone is Cc1cc(Oc2cc(C)c(C(=O)c3c(C)ccc4ccccc34)c(C(=O)c3c(C)ccc4ccccc34)c2C)c(C)c(C(=O)c2c(C)ccc3ccccc23)c1C(=O)c1c(C)ccc2ccccc12.
What is the InChIKey of [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is NSHOMVSMSNJUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50O5/c1-35-25-29-43-17-9-13-21-47(43)53(35)61(65)57-39(5)33-51(41(7)59(57)63(67)55-37(3)27-31-45-19-11-15-23-49(45)55)69-52-34-40(6)58(62(66)54-36(2)26-30-44-18-10-14-22-48(44)54)60(42(52)8)64(68)56-38(4)28-32-46-20-12-16-24-50(46)56/h9-34H,1-8H3.
What are the key properties of [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone?
[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 899.10 g/mol, XLogP of 15.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 141279941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).