9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole

C21H14ClNS — CID 163652443

IUPAC9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole
SMILESClC1=Cc2ccc3ccc4sc(-c5ccccc5)nc4c3c2CC1
InChIInChI=1S/C21H14ClNS/c22-16-9-10-17-15(12-16)7-6-13-8-11-18-20(19(13)17)23-21(24-18)14-4-2-1-3-5-14/h1-8,11-12H,9-10H2
InChIKeyINJDEFAMIBDPQT-UHFFFAOYSA-N
MW347.87 g/mol
LogP6.64
Rot. Bonds1

About 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole

9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole (PubChem CID 163652443) has the molecular formula C21H14ClNS and a molecular weight of 347.87 g/mol. Its IUPAC name is 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole
PubChem CID163652443
Molecular FormulaC21H14ClNS
Molecular Weight347.87 g/mol
Exact Mass347.05
IUPAC Name9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole
SMILESClC1=Cc2ccc3ccc4sc(-c5ccccc5)nc4c3c2CC1
InChIInChI=1S/C21H14ClNS/c22-16-9-10-17-15(12-16)7-6-13-8-11-18-20(19(13)17)23-21(24-18)14-4-2-1-3-5-14/h1-8,11-12H,9-10H2
InChIKeyINJDEFAMIBDPQT-UHFFFAOYSA-N
XLogP6.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.87
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-2-phenylnaphtho[1,2-e][1,3]benzothiazole
CID 174323293
2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine
CID 129095754
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazole
CID 126614324
4-chloro-2-(4-phenylphenyl)-1,3-benzothiazole
CID 50850199
4,5-dimethyl-2-phenyl-1,3-benzothiazole
CID 141364490
4-amino-2-phenyl-1,3-benzothiazol-5-ol
CID 54396314
2-(4-phenylphenyl)-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 171411875
(4E,5Z,7Z)-4-(3-methylbutan-2-ylidene)-13-phenyl-14-thia-12-azatricyclo[8.7.0.011,15]heptadeca-1(10),2,5,7,11(15),12,16-heptaene
CID 174009964
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
18-[4-(4-carbazol-9-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-oxa-6-thia-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177085802
18-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-oxa-6-thia-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086378
8-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167124525

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole?
The IUPAC name of 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole (CID 163652443) is 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole.
What is the SMILES notation for 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole?
The canonical SMILES for 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole is ClC1=Cc2ccc3ccc4sc(-c5ccccc5)nc4c3c2CC1.
What is the InChIKey of 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole?
The InChIKey is INJDEFAMIBDPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNS/c22-16-9-10-17-15(12-16)7-6-13-8-11-18-20(19(13)17)23-21(24-18)14-4-2-1-3-5-14/h1-8,11-12H,9-10H2.
What are the key properties of 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole?
9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole has a molecular weight of 347.87 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-phenyl-10,11-dihydronaphtho[1,2-e][1,3]benzothiazole is sourced from PubChem (CID 163652443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).