1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine

C28H27O3P — CID 20693420

IUPAC1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c2op(Oc3ccc4ccccc4c3)oc3c(C)cc(C)c(C)c3c2c1C
InChIInChI=1S/C28H27O3P/c1-16-13-18(3)27-25(20(16)5)26-21(6)17(2)14-19(4)28(26)31-32(30-27)29-24-12-11-22-9-7-8-10-23(22)15-24/h7-15H,1-6H3
InChIKeySAYMYWBGKZISJB-UHFFFAOYSA-N
MW442.50 g/mol
LogP9.14
Rot. Bonds2

About 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine

1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 20693420) has the molecular formula C28H27O3P and a molecular weight of 442.50 g/mol. Its IUPAC name is 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID20693420
Molecular FormulaC28H27O3P
Molecular Weight442.50 g/mol
Exact Mass442.17
IUPAC Name1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCc1cc(C)c2op(Oc3ccc4ccccc4c3)oc3c(C)cc(C)c(C)c3c2c1C
InChIInChI=1S/C28H27O3P/c1-16-13-18(3)27-25(20(16)5)26-21(6)17(2)14-19(4)28(26)31-32(30-27)29-24-12-11-22-9-7-8-10-23(22)15-24/h7-15H,1-6H3
InChIKeySAYMYWBGKZISJB-UHFFFAOYSA-N
XLogP9.14
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Related Compounds

2-(2,3,5,6-tetramethylphenyl)naphthalene
CID 90733282
13-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59931133
N-methyl-N-(2,3,5,6-tetramethylphenyl)naphthalen-2-amine
CID 163608925
zinc 5-[3-[(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)oxy]phenyl]-10,15,20-triphenylporphyrin-22,24-diide
CID 25185713
6-anthracen-9-yloxy-4-methoxy-2,8,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 121375060
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
1,3,4-trimethylphenanthrene
CID 53421592
4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10-trimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 102435583
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
CID 121381055
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 22981763

Frequently Asked Questions

What is the IUPAC name of 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine (CID 20693420) is 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine is Cc1cc(C)c2op(Oc3ccc4ccccc4c3)oc3c(C)cc(C)c(C)c3c2c1C.
What is the InChIKey of 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is SAYMYWBGKZISJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27O3P/c1-16-13-18(3)27-25(20(16)5)26-21(6)17(2)14-19(4)28(26)31-32(30-27)29-24-12-11-22-9-7-8-10-23(22)15-24/h7-15H,1-6H3.
What are the key properties of 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine?
1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 442.50 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,8,10,11-hexamethyl-6-naphthalen-2-yloxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 20693420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).