9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole

C50H69NO2S2 — CID 122382229

IUPAC9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(-c3ccccc3S(C)=O)ccc2c2ccc(-c3ccccc3S(C)=O)cc21
InChIInChI=1S/C50H69NO2S2/c1-5-7-9-11-13-15-16-18-20-22-28-40(27-21-19-17-14-12-10-8-6-2)39-51-47-37-41(43-29-23-25-31-49(43)54(3)52)33-35-45(47)46-36-34-42(38-48(46)51)44-30-24-26-32-50(44)55(4)53/h23-26,29-38,40H,5-22,27-28,39H2,1-4H3
InChIKeyZYWRDRCLHQKGTF-UHFFFAOYSA-N
MW780.24 g/mol
LogP15.06
Rot. Bonds26

About 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole

9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole (PubChem CID 122382229) has the molecular formula C50H69NO2S2 and a molecular weight of 780.24 g/mol. Its IUPAC name is 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole.

Molecular Properties

Compound Name9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole
PubChem CID122382229
Molecular FormulaC50H69NO2S2
Molecular Weight780.24 g/mol
Exact Mass779.48
IUPAC Name9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(-c3ccccc3S(C)=O)ccc2c2ccc(-c3ccccc3S(C)=O)cc21
InChIInChI=1S/C50H69NO2S2/c1-5-7-9-11-13-15-16-18-20-22-28-40(27-21-19-17-14-12-10-8-6-2)39-51-47-37-41(43-29-23-25-31-49(43)54(3)52)33-35-45(47)46-36-34-42(38-48(46)51)44-30-24-26-32-50(44)55(4)53/h23-26,29-38,40H,5-22,27-28,39H2,1-4H3
InChIKeyZYWRDRCLHQKGTF-UHFFFAOYSA-N
XLogP15.06
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.24
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-(2-decyltetradecyl)carbazole
CID 86094421
9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole
CID 153380542
15-(2-decyltetradecyl)-5,25-dithia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 122382230
3,8-dibromo-5-(2-octyldodecyl)phenanthridin-6-one
CID 132536074
5,17-di(azulen-2-yl)-11,23-bis(2-hexyldecyl)-11,23-diazahexacyclo[11.11.2.02,8.09,25.014,20.021,26]hexacosa-1,3,5,7,9(25),13(26),14,16,18,20-decaene-10,12,22,24-tetrone
CID 134957152
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
1,5-bis(2-decyltetradecyl)-3-[5-[9-(2-ethylhexyl)carbazol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)pyrrolo[2,3-f]indole-2,6-dione
CID 158244463
1-[5-(7-tert-butyl-9-hexylcarbazol-2-yl)thiophen-2-yl]-4-(5-tert-butylthiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 91414216
5,20-bis(2-octyldodecyl)-5,20-diazaheptacyclo[15.11.0.02,14.03,7.08,13.018,22.023,28]octacosa-1(17),2(14),3(7),8,10,12,15,18(22),23,25,27-undecaene-4,6,19,21-tetrone
CID 132594816
9-(2-decyltetradecyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 171665990
2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole
CID 141263543
15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone
CID 132594822

Frequently Asked Questions

What is the IUPAC name of 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole?
The IUPAC name of 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole (CID 122382229) is 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole.
What is the SMILES notation for 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole?
The canonical SMILES for 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole is CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c2cc(-c3ccccc3S(C)=O)ccc2c2ccc(-c3ccccc3S(C)=O)cc21.
What is the InChIKey of 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole?
The InChIKey is ZYWRDRCLHQKGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H69NO2S2/c1-5-7-9-11-13-15-16-18-20-22-28-40(27-21-19-17-14-12-10-8-6-2)39-51-47-37-41(43-29-23-25-31-49(43)54(3)52)33-35-45(47)46-36-34-42(38-48(46)51)44-30-24-26-32-50(44)55(4)53/h23-26,29-38,40H,5-22,27-28,39H2,1-4H3.
What are the key properties of 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole?
9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole has a molecular weight of 780.24 g/mol, XLogP of 15.06, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-decyltetradecyl)-2,7-bis(2-methylsulfinylphenyl)carbazole is sourced from PubChem (CID 122382229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).