7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole

C40H38N2O4S2 — CID 139049890

IUPAC7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole
SMILESCC(C)c1ccc2c(c1)c1c3ccccc3ccc1n2S(C)(=O)=O.CC(C)c1ccc2c(c1)c1c3ccccc3ccc1n2S(C)(=O)=O
InChIInChI=1S/2C20H19NO2S/c2*1-13(2)15-9-10-18-17(12-15)20-16-7-5-4-6-14(16)8-11-19(20)21(18)24(3,22)23/h2*4-13H,1-3H3
InChIKeyZYLXYXIPCJVZEK-UHFFFAOYSA-N
MW674.89 g/mol
LogP9.76
Rot. Bonds4

About 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole

7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole (PubChem CID 139049890) has the molecular formula C40H38N2O4S2 and a molecular weight of 674.89 g/mol. Its IUPAC name is 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole
PubChem CID139049890
Molecular FormulaC40H38N2O4S2
Molecular Weight674.89 g/mol
Exact Mass674.23
IUPAC Name7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole
SMILESCC(C)c1ccc2c(c1)c1c3ccccc3ccc1n2S(C)(=O)=O.CC(C)c1ccc2c(c1)c1c3ccccc3ccc1n2S(C)(=O)=O
InChIInChI=1S/2C20H19NO2S/c2*1-13(2)15-9-10-18-17(12-15)20-16-7-5-4-6-14(16)8-11-19(20)21(18)24(3,22)23/h2*4-13H,1-3H3
InChIKeyZYLXYXIPCJVZEK-UHFFFAOYSA-N
XLogP9.76
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-propan-2-ylchrysene
CID 54288405
5,20-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591260
1-methyl-3-methylsulfonylbenzo[e]indole
CID 10967214
12-[4-(10-phenylanthracen-9-yl)phenyl]-5-propan-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 129086389
5-methylsulfonyl-11-phenylbenzo[b]carbazole
CID 164667760
8-propan-2-ylnaphtho[1,2-b][1]benzothiole
CID 158779749
9-propan-2-ylnaphtho[2,1-b][1]benzothiole
CID 71126581
ethane;2-propan-2-ylnaphthalene
CID 142226111
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
2-propan-2-ylpentacene
CID 153380535
11-phenyl-9-propan-2-ylbenzo[a]carbazole
CID 134509893
1-(7-propan-2-ylnaphthalen-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole?
The IUPAC name of 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole (CID 139049890) is 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole.
What is the SMILES notation for 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole?
The canonical SMILES for 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole is CC(C)c1ccc2c(c1)c1c3ccccc3ccc1n2S(C)(=O)=O.CC(C)c1ccc2c(c1)c1c3ccccc3ccc1n2S(C)(=O)=O.
What is the InChIKey of 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole?
The InChIKey is ZYLXYXIPCJVZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19NO2S/c2*1-13(2)15-9-10-18-17(12-15)20-16-7-5-4-6-14(16)8-11-19(20)21(18)24(3,22)23/h2*4-13H,1-3H3.
What are the key properties of 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole?
7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole has a molecular weight of 674.89 g/mol, XLogP of 9.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-10-propan-2-ylbenzo[c]carbazole is sourced from PubChem (CID 139049890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).