12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole

C198H120N8S4 — CID 159473458

IUPAC12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7cccc8ccccc78)c6c6c5sc5ccccc56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccc8ccccc8c7)c6c6c5sc5ccccc56)ccc43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)c5sc6ccccc6c5c43)ccc2c1
InChIInChI=1S/C52H32N2S.2C50H30N2S.C46H28N2S/c1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-46-21-9-6-18-39(46)43-31-36(27-30-48(43)53)42-32-44-40-19-7-10-22-47(40)54(45-23-12-16-35-15-4-5-17-38(35)45)51(44)50-41-20-8-11-24-49(41)55-52(42)50;1-3-13-33-27-36(24-21-31(33)11-1)51-44-18-8-5-15-38(44)42-29-35(23-26-46(42)51)41-30-43-39-16-6-9-19-45(39)52(37-25-22-32-12-2-4-14-34(32)28-37)49(43)48-40-17-7-10-20-47(40)53-50(41)48;1-2-14-33-28-35(26-24-31(33)12-1)51-44-20-8-6-18-38(44)42-30-40(50-48(49(42)51)39-19-7-10-23-47(39)53-50)34-25-27-46-41(29-34)37-17-5-9-21-45(37)52(46)43-22-11-15-32-13-3-4-16-36(32)43;1-2-15-31(16-3-1)47-40-21-9-6-18-33(40)37-27-30(25-26-42(37)47)36-28-38-34-19-7-10-22-41(34)48(39-23-12-14-29-13-4-5-17-32(29)39)45(38)44-35-20-8-11-24-43(35)49-46(36)44/h1-32H;2*1-30H;1-28H
InChIKeyLWBUQXRDPUBOSL-UHFFFAOYSA-N
MW2739.46 g/mol
LogP56.25
Rot. Bonds13

About 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole

12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole (PubChem CID 159473458) has the molecular formula C198H120N8S4 and a molecular weight of 2739.46 g/mol. Its IUPAC name is 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
PubChem CID159473458
Molecular FormulaC198H120N8S4
Molecular Weight2739.46 g/mol
Exact Mass2736.85
IUPAC Name12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7cccc8ccccc78)c6c6c5sc5ccccc56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccc8ccccc8c7)c6c6c5sc5ccccc56)ccc43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)c5sc6ccccc6c5c43)ccc2c1
InChIInChI=1S/C52H32N2S.2C50H30N2S.C46H28N2S/c1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-46-21-9-6-18-39(46)43-31-36(27-30-48(43)53)42-32-44-40-19-7-10-22-47(40)54(45-23-12-16-35-15-4-5-17-38(35)45)51(44)50-41-20-8-11-24-49(41)55-52(42)50;1-3-13-33-27-36(24-21-31(33)11-1)51-44-18-8-5-15-38(44)42-29-35(23-26-46(42)51)41-30-43-39-16-6-9-19-45(39)52(37-25-22-32-12-2-4-14-34(32)28-37)49(43)48-40-17-7-10-20-47(40)53-50(41)48;1-2-14-33-28-35(26-24-31(33)12-1)51-44-20-8-6-18-38(44)42-30-40(50-48(49(42)51)39-19-7-10-23-47(39)53-50)34-25-27-46-41(29-34)37-17-5-9-21-45(37)52(46)43-22-11-15-32-13-3-4-16-36(32)43;1-2-15-31(16-3-1)47-40-21-9-6-18-33(40)37-27-30(25-26-42(37)47)36-28-38-34-19-7-10-22-41(34)48(39-23-12-14-29-13-4-5-17-32(29)39)45(38)44-35-20-8-11-24-43(35)49-46(36)44/h1-32H;2*1-30H;1-28H
InChIKeyLWBUQXRDPUBOSL-UHFFFAOYSA-N
XLogP56.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002739.46
LogP ≤ 556.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole with MolForge

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Related Compounds

6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;6-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 161013402
12-naphthalen-2-yl-5-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-2-yl-5-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole
CID 159922238
12-naphthalen-2-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530208
5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160706805
12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530240
6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
CID 163863686
3-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]-9-phenylcarbazole;8-(9-naphthalen-1-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 160934909
12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-10,11-dihydro-[1]benzothiolo[3,2-a]carbazole
CID 167148692
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
24-naphthalen-1-yl-20-[4-[4-(24-naphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)naphthalen-1-yl]naphthalen-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-naphthalen-2-yl-20-[4-[4-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)naphthalen-1-yl]naphthalen-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 158769929
5-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160638054

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole (CID 159473458) is 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7cccc8ccccc78)c6c6c5sc5ccccc56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccc8ccccc8c7)c6c6c5sc5ccccc56)ccc43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)c5sc6ccccc6c5c43)ccc2c1.
What is the InChIKey of 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is LWBUQXRDPUBOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S.2C50H30N2S.C46H28N2S/c1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-46-21-9-6-18-39(46)43-31-36(27-30-48(43)53)42-32-44-40-19-7-10-22-47(40)54(45-23-12-16-35-15-4-5-17-38(35)45)51(44)50-41-20-8-11-24-49(41)55-52(42)50;1-3-13-33-27-36(24-21-31(33)11-1)51-44-18-8-5-15-38(44)42-29-35(23-26-46(42)51)41-30-43-39-16-6-9-19-45(39)52(37-25-22-32-12-2-4-14-34(32)28-37)49(43)48-40-17-7-10-20-47(40)53-50(41)48;1-2-14-33-28-35(26-24-31(33)12-1)51-44-20-8-6-18-38(44)42-30-40(50-48(49(42)51)39-19-7-10-23-47(39)53-50)34-25-27-46-41(29-34)37-17-5-9-21-45(37)52(46)43-22-11-15-32-13-3-4-16-36(32)43;1-2-15-31(16-3-1)47-40-21-9-6-18-33(40)37-27-30(25-26-42(37)47)36-28-38-34-19-7-10-22-41(34)48(39-23-12-14-29-13-4-5-17-32(29)39)45(38)44-35-20-8-11-24-43(35)49-46(36)44/h1-32H;2*1-30H;1-28H.
What are the key properties of 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole?
12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 2739.46 g/mol, XLogP of 56.25, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 159473458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).