(1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate

C24H19NO3S — CID 135271333

IUPAC(1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate
SMILESCc1ccc2c(c1)[nH]c1c(C)c(OS(=O)(=O)c3cccc4ccccc34)ccc12
InChIInChI=1S/C24H19NO3S/c1-15-10-11-19-20-12-13-22(16(2)24(20)25-21(19)14-15)28-29(26,27)23-9-5-7-17-6-3-4-8-18(17)23/h3-14,25H,1-2H3
InChIKeyYHRPDYVHXMCOIZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.86
Rot. Bonds3

About (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate

(1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate (PubChem CID 135271333) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate.

Molecular Properties

Compound Name(1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate
PubChem CID135271333
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC Name(1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate
SMILESCc1ccc2c(c1)[nH]c1c(C)c(OS(=O)(=O)c3cccc4ccccc34)ccc12
InChIInChI=1S/C24H19NO3S/c1-15-10-11-19-20-12-13-22(16(2)24(20)25-21(19)14-15)28-29(26,27)23-9-5-7-17-6-3-4-8-18(17)23/h3-14,25H,1-2H3
InChIKeyYHRPDYVHXMCOIZ-UHFFFAOYSA-N
XLogP5.86
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(7-methoxy-1-methyl-9H-carbazol-2-yl) naphthalene-2-sulfonate
CID 126564913
[1,7-dimethyl-3-(naphthalene-1-carbonyl)-9H-carbazol-2-yl] naphthalene-1-carboxylate
CID 135271321
(1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate;1-iodo-4-methyl-2-nitrobenzene;2-methyl-4-(4-methyl-2-nitrophenyl)phenol;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;1,3,7-trimethyl-9H-carbazol-2-ol
CID 159965313
[1-(1H-phenanthro[9,10-d]imidazol-2-yl)naphthalen-2-yl] 4-methylbenzenesulfonate
CID 59449287
1-methylsulfonylnaphthalene
CID 11206535
formaldehyde;methyl naphthalene-1-sulfonate
CID 87369958
tert-butyl naphthalene-1-sulfonate
CID 22062611
3-methyl-5H-phenanthridin-6-one
CID 59877971
anthracen-1-yl anthracene-1-sulfonate
CID 174423512
[3-(3-hydroxypropoxy)-5-methylphenyl] naphthalene-1-sulfonate
CID 54280574
tetracosyl naphthalene-1-sulfonate
CID 158617627
(2-formyl-4-methylphenyl) 2-bromobenzenesulfonate
CID 25178275

Frequently Asked Questions

What is the IUPAC name of (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate?
The IUPAC name of (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate (CID 135271333) is (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate.
What is the SMILES notation for (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate?
The canonical SMILES for (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate is Cc1ccc2c(c1)[nH]c1c(C)c(OS(=O)(=O)c3cccc4ccccc34)ccc12.
What is the InChIKey of (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate?
The InChIKey is YHRPDYVHXMCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S/c1-15-10-11-19-20-12-13-22(16(2)24(20)25-21(19)14-15)28-29(26,27)23-9-5-7-17-6-3-4-8-18(17)23/h3-14,25H,1-2H3.
What are the key properties of (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate?
(1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate has a molecular weight of 401.49 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethyl-9H-carbazol-2-yl) naphthalene-1-sulfonate is sourced from PubChem (CID 135271333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).