12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole

C166H103N5S5 — CID 159705422

IUPAC12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3c2)cc1.c1ccc(-c2cccc3cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)ccc23)cc1.c1ccc(-c2cccc3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc23)cc1
InChIInChI=1S/4C34H21NS.C30H19NS/c1-2-9-22(10-3-1)25-14-8-11-23-21-24(17-18-26(23)25)35-31-15-6-4-12-27(31)29-19-20-30-28-13-5-7-16-32(28)36-34(30)33(29)35;1-2-9-22(10-3-1)25-14-8-11-23-17-18-24(21-30(23)25)35-31-15-6-4-12-26(31)28-19-20-29-27-13-5-7-16-32(27)36-34(29)33(28)35;1-2-8-22(9-3-1)24-15-14-23-16-17-26(21-25(23)20-24)35-31-12-6-4-10-27(31)29-18-19-30-28-11-5-7-13-32(28)36-34(30)33(29)35;1-2-10-22(11-3-1)23-20-21-31(25-13-5-4-12-24(23)25)35-30-16-8-6-14-26(30)28-18-19-29-27-15-7-9-17-32(27)36-34(29)33(28)35;1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-27-12-6-4-10-23(27)25-18-19-26-24-11-5-7-13-28(24)32-30(26)29(25)31/h4*1-21H;1-19H
InChIKeyMYDMWMWSEGLXDN-UHFFFAOYSA-N
MW2328.02 g/mol
LogP48.71
Rot. Bonds10

About 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole

12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole (PubChem CID 159705422) has the molecular formula C166H103N5S5 and a molecular weight of 2328.02 g/mol. Its IUPAC name is 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
PubChem CID159705422
Molecular FormulaC166H103N5S5
Molecular Weight2328.02 g/mol
Exact Mass2325.68
IUPAC Name12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3c2)cc1.c1ccc(-c2cccc3cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)ccc23)cc1.c1ccc(-c2cccc3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc23)cc1
InChIInChI=1S/4C34H21NS.C30H19NS/c1-2-9-22(10-3-1)25-14-8-11-23-21-24(17-18-26(23)25)35-31-15-6-4-12-27(31)29-19-20-30-28-13-5-7-16-32(28)36-34(30)33(29)35;1-2-9-22(10-3-1)25-14-8-11-23-17-18-24(21-30(23)25)35-31-15-6-4-12-26(31)28-19-20-29-27-13-5-7-16-32(27)36-34(29)33(28)35;1-2-8-22(9-3-1)24-15-14-23-16-17-26(21-25(23)20-24)35-31-12-6-4-10-27(31)29-18-19-30-28-11-5-7-13-32(28)36-34(30)33(29)35;1-2-10-22(11-3-1)23-20-21-31(25-13-5-4-12-24(23)25)35-30-16-8-6-14-26(30)28-18-19-29-27-15-7-9-17-32(27)36-34(29)33(28)35;1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-27-12-6-4-10-23(27)25-18-19-26-24-11-5-7-13-28(24)32-30(26)29(25)31/h4*1-21H;1-19H
InChIKeyMYDMWMWSEGLXDN-UHFFFAOYSA-N
XLogP48.71
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002328.02
LogP ≤ 548.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

11-(4-naphthalen-2-ylphenyl)-15-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-2-yl-15-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 158473976
12-naphthalen-2-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 157242347
8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole
CID 167243659
3-(6-naphthalen-1-ylnaphthalen-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602505
15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940
5-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-7-phenylindolo[2,3-b]carbazole;9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-(3-dibenzothiophen-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162243192
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
16-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 161350792
12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 167193290
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580449
11,15-diphenyl-7-(6-phenyl-2-pyridinyl)-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene;8-naphthalen-2-yl-11,15-diphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene;7,11,15-triphenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5(10),6,8,13,17(25),19,21,23,26-dodecaene
CID 158372388

Frequently Asked Questions

What is the IUPAC name of 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole (CID 159705422) is 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3c2)cc1.c1ccc(-c2cccc3cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)ccc23)cc1.c1ccc(-c2cccc3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc23)cc1.
What is the InChIKey of 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is MYDMWMWSEGLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H21NS.C30H19NS/c1-2-9-22(10-3-1)25-14-8-11-23-21-24(17-18-26(23)25)35-31-15-6-4-12-27(31)29-19-20-30-28-13-5-7-16-32(28)36-34(30)33(29)35;1-2-9-22(10-3-1)25-14-8-11-23-17-18-24(21-30(23)25)35-31-15-6-4-12-26(31)28-19-20-29-27-13-5-7-16-32(27)36-34(29)33(28)35;1-2-8-22(9-3-1)24-15-14-23-16-17-26(21-25(23)20-24)35-31-12-6-4-10-27(31)29-18-19-30-28-11-5-7-13-32(28)36-34(30)33(29)35;1-2-10-22(11-3-1)23-20-21-31(25-13-5-4-12-24(23)25)35-30-16-8-6-14-26(30)28-18-19-29-27-15-7-9-17-32(27)36-34(29)33(28)35;1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-27-12-6-4-10-23(27)25-18-19-26-24-11-5-7-13-28(24)32-30(26)29(25)31/h4*1-21H;1-19H.
What are the key properties of 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole?
12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2328.02 g/mol, XLogP of 48.71, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-(5-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(7-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(8-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 159705422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).