3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole

C27H17NS — CID 169078108

IUPAC3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole
SMILESc1ccc(-c2ccc3ccc4ccc5c(-c6ccccc6)nsc5c4c3c2)cc1
InChIInChI=1S/C27H17NS/c1-3-7-18(8-4-1)22-14-12-19-11-13-20-15-16-23-26(21-9-5-2-6-10-21)28-29-27(23)25(20)24(19)17-22/h1-17H
InChIKeySRAHMBZZKWTDDV-UHFFFAOYSA-N
MW387.51 g/mol
LogP7.94
Rot. Bonds2

About 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole

3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole (PubChem CID 169078108) has the molecular formula C27H17NS and a molecular weight of 387.51 g/mol. Its IUPAC name is 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole.

Molecular Properties

Compound Name3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole
PubChem CID169078108
Molecular FormulaC27H17NS
Molecular Weight387.51 g/mol
Exact Mass387.11
IUPAC Name3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole
SMILESc1ccc(-c2ccc3ccc4ccc5c(-c6ccccc6)nsc5c4c3c2)cc1
InChIInChI=1S/C27H17NS/c1-3-7-18(8-4-1)22-14-12-19-11-13-20-15-16-23-26(21-9-5-2-6-10-21)28-29-27(23)25(20)24(19)17-22/h1-17H
InChIKeySRAHMBZZKWTDDV-UHFFFAOYSA-N
XLogP7.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-phenyl-1-pyridin-2-ylnaphtho[1,2-e][1,2]benzothiazole
CID 169078102
3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole
CID 169078132
3,9-bis(3,5-diphenylphenyl)chrysene
CID 123616351
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
5,10-diphenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 134958577
N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
CID 132542294
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157427505
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
CID 130213013
2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581
19-(3-triphenylen-2-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 90337097
2-[4-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167087471

Frequently Asked Questions

What is the IUPAC name of 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole?
The IUPAC name of 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole (CID 169078108) is 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole.
What is the SMILES notation for 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole?
The canonical SMILES for 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole is c1ccc(-c2ccc3ccc4ccc5c(-c6ccccc6)nsc5c4c3c2)cc1.
What is the InChIKey of 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole?
The InChIKey is SRAHMBZZKWTDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NS/c1-3-7-18(8-4-1)22-14-12-19-11-13-20-15-16-23-26(21-9-5-2-6-10-21)28-29-27(23)25(20)24(19)17-22/h1-17H.
What are the key properties of 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole?
3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole has a molecular weight of 387.51 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole is sourced from PubChem (CID 169078108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).