8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine

C46H30OS — CID 118081281

IUPAC8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine
SMILESCC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Sc2c(cccc2-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)O1
InChIInChI=1S/C46H30OS/c1-46(34-13-3-2-4-14-34)39-19-8-7-16-38(39)43-40(46)25-26-42-45(43)48-44-37(18-10-20-41(44)47-42)33-24-22-30-27-32(23-21-31(30)28-33)36-17-9-12-29-11-5-6-15-35(29)36/h2-28H,1H3
InChIKeyOKCCEZJMLAMGPJ-UHFFFAOYSA-N
MW630.81 g/mol
LogP12.92
Rot. Bonds3

About 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine

8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine (PubChem CID 118081281) has the molecular formula C46H30OS and a molecular weight of 630.81 g/mol. Its IUPAC name is 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine.

Molecular Properties

Compound Name8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine
PubChem CID118081281
Molecular FormulaC46H30OS
Molecular Weight630.81 g/mol
Exact Mass630.20
IUPAC Name8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine
SMILESCC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Sc2c(cccc2-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)O1
InChIInChI=1S/C46H30OS/c1-46(34-13-3-2-4-14-34)39-19-8-7-16-38(39)43-40(46)25-26-42-45(43)48-44-37(18-10-20-41(44)47-42)33-24-22-30-27-32(23-21-31(30)28-33)36-17-9-12-29-11-5-6-15-35(29)36/h2-28H,1H3
InChIKeyOKCCEZJMLAMGPJ-UHFFFAOYSA-N
XLogP12.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.81
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019937
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019619
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170023888
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
N-(4-phenylphenyl)-N-[4-(5,8,8-trimethyl-5-phenylindeno[2,1-c]thioxanthen-1-yl)phenyl]naphthalen-1-amine
CID 118081266
5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170025386
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020096

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine?
The IUPAC name of 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine (CID 118081281) is 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine.
What is the SMILES notation for 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine?
The canonical SMILES for 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine is CC1(c2ccccc2)c2ccccc2-c2c1ccc1c2Sc2c(cccc2-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)O1.
What is the InChIKey of 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine?
The InChIKey is OKCCEZJMLAMGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30OS/c1-46(34-13-3-2-4-14-34)39-19-8-7-16-38(39)43-40(46)25-26-42-45(43)48-44-37(18-10-20-41(44)47-42)33-24-22-30-27-32(23-21-31(30)28-33)36-17-9-12-29-11-5-6-15-35(29)36/h2-28H,1H3.
What are the key properties of 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine?
8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine has a molecular weight of 630.81 g/mol, XLogP of 12.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(6-naphthalen-1-ylnaphthalen-2-yl)-8-phenylindeno[1,2-a]phenoxathiine is sourced from PubChem (CID 118081281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).