11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]

C30H20S — CID 155036548

IUPAC11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]
SMILESCc1cccc2c1-c1c(ccc3ccccc13)C21c2ccccc2Sc2ccccc21
InChIInChI=1S/C30H20S/c1-19-9-8-14-24-28(19)29-21-11-3-2-10-20(21)17-18-25(29)30(24)22-12-4-6-15-26(22)31-27-16-7-5-13-23(27)30/h2-18H,1H3
InChIKeyCYPWKIXMIRMRBD-UHFFFAOYSA-N
MW412.56 g/mol
LogP7.98
Rot. Bonds

About 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]

11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene] (PubChem CID 155036548) has the molecular formula C30H20S and a molecular weight of 412.56 g/mol. Its IUPAC name is 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene].

Molecular Properties

Compound Name11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]
PubChem CID155036548
Molecular FormulaC30H20S
Molecular Weight412.56 g/mol
Exact Mass412.13
IUPAC Name11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]
SMILESCc1cccc2c1-c1c(ccc3ccccc13)C21c2ccccc2Sc2ccccc21
InChIInChI=1S/C30H20S/c1-19-9-8-14-24-28(19)29-21-11-3-2-10-20(21)17-18-25(29)30(24)22-12-4-6-15-26(22)31-27-16-7-5-13-23(27)30/h2-18H,1H3
InChIKeyCYPWKIXMIRMRBD-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
9-methyl-12,12-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 149445168
12-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-2-yl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170036855
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 153412677
6-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,9'-thioxanthene]-4-amine
CID 146215712
CID 10673795
CID 10673795
N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 142592875
3'-methyl-4'-(3-methyl-4-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaenyl)spiro[thioxanthene-9,9'-xanthene]
CID 157302108
12-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170021853
6-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-yl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177127749

Frequently Asked Questions

What is the IUPAC name of 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]?
The IUPAC name of 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene] (CID 155036548) is 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene].
What is the SMILES notation for 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]?
The canonical SMILES for 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene] is Cc1cccc2c1-c1c(ccc3ccccc13)C21c2ccccc2Sc2ccccc21.
What is the InChIKey of 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]?
The InChIKey is CYPWKIXMIRMRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20S/c1-19-9-8-14-24-28(19)29-21-11-3-2-10-20(21)17-18-25(29)30(24)22-12-4-6-15-26(22)31-27-16-7-5-13-23(27)30/h2-18H,1H3.
What are the key properties of 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene]?
11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene] has a molecular weight of 412.56 g/mol, XLogP of 7.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylspiro[benzo[c]fluorene-7,9'-thioxanthene] is sourced from PubChem (CID 155036548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).