2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole

C28H17NS — CID 146369031

IUPAC2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole
SMILESc1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)c3c(cc2c1)sc1ccccc13
InChIInChI=1S/C28H17NS/c1-2-8-19-17(7-1)16-26-28(22-10-4-6-12-25(22)30-26)27(19)18-13-14-21-20-9-3-5-11-23(20)29-24(21)15-18/h1-16,29H
InChIKeyJMCZYCRJYYLSCR-UHFFFAOYSA-N
MW399.52 g/mol
LogP8.51
Rot. Bonds1

About 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole

2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole (PubChem CID 146369031) has the molecular formula C28H17NS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole.

Molecular Properties

Compound Name2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole
PubChem CID146369031
Molecular FormulaC28H17NS
Molecular Weight399.52 g/mol
Exact Mass399.11
IUPAC Name2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole
SMILESc1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)c3c(cc2c1)sc1ccccc13
InChIInChI=1S/C28H17NS/c1-2-8-19-17(7-1)16-26-28(22-10-4-6-12-25(22)30-26)27(19)18-13-14-21-20-9-3-5-11-23(20)29-24(21)15-18/h1-16,29H
InChIKeyJMCZYCRJYYLSCR-UHFFFAOYSA-N
XLogP8.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphtho[3,2-b][1]benzothiol-11-ylphenol
CID 10782388
3-naphtho[3,2-b][1]benzothiol-11-ylphenol
CID 15481238
11-thia-28-azaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18,20,22,24,26-tridecaene
CID 126621727
2-(1-benzothiophen-2-yl)-9H-carbazole
CID 142748713
11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
CID 146663717
2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole
CID 142748705
2-(3-naphtho[3,2-b][1]benzothiol-11-ylphenyl)-4,6-diphenyl-1,3,5-triazinane
CID 163997133
17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene
CID 164721462
(4-naphtho[3,2-b][1]benzothiol-11-ylphenyl) methanesulfonate
CID 15481262
3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole
CID 90433316
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063
2-(3-nitro-1-benzothiophen-2-yl)-9H-carbazole
CID 142727152

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole?
The IUPAC name of 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole (CID 146369031) is 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole.
What is the SMILES notation for 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole?
The canonical SMILES for 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole is c1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)c3c(cc2c1)sc1ccccc13.
What is the InChIKey of 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole?
The InChIKey is JMCZYCRJYYLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17NS/c1-2-8-19-17(7-1)16-26-28(22-10-4-6-12-25(22)30-26)27(19)18-13-14-21-20-9-3-5-11-23(20)29-24(21)15-18/h1-16,29H.
What are the key properties of 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole?
2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole has a molecular weight of 399.52 g/mol, XLogP of 8.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole is sourced from PubChem (CID 146369031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).