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

C146H88N6S3 — CID 159922238

IUPAC12-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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6sc5c5c4c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc5c6ccccc6sc5c43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccc6ccccc6c5)ccc43)ccc2c1
InChIInChI=1S/2C50H30N2S.C46H28N2S/c1-3-13-33-27-36(24-21-31(33)11-1)51-44-18-8-5-15-38(44)42-29-35(23-26-46(42)51)41-30-43-39-16-7-10-20-47(39)53-50(43)49-48(41)40-17-6-9-19-45(40)52(49)37-25-22-32-12-2-4-14-34(32)28-37;1-2-14-33-28-35(26-24-31(33)12-1)51-45-21-9-6-19-39(45)48-40(30-42-38-18-7-10-23-47(38)53-50(42)49(48)51)34-25-27-46-41(29-34)37-17-5-8-20-44(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)36-28-38-34-19-8-11-24-43(34)49-46(38)45-44(36)35-20-7-10-22-41(35)48(45)39-23-12-14-29-13-4-5-17-32(29)39/h2*1-30H;1-28H
InChIKeyNYNYIDZMAONLSF-UHFFFAOYSA-N
MW2022.55 g/mol
LogP41.51
Rot. Bonds9

About 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

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 (PubChem CID 159922238) has the molecular formula C146H88N6S3 and a molecular weight of 2022.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-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
PubChem CID159922238
Molecular FormulaC146H88N6S3
Molecular Weight2022.55 g/mol
Exact Mass2020.62
IUPAC Name12-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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6sc5c5c4c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc5c6ccccc6sc5c43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccc6ccccc6c5)ccc43)ccc2c1
InChIInChI=1S/2C50H30N2S.C46H28N2S/c1-3-13-33-27-36(24-21-31(33)11-1)51-44-18-8-5-15-38(44)42-29-35(23-26-46(42)51)41-30-43-39-16-7-10-20-47(39)53-50(43)49-48(41)40-17-6-9-19-45(40)52(49)37-25-22-32-12-2-4-14-34(32)28-37;1-2-14-33-28-35(26-24-31(33)12-1)51-45-21-9-6-19-39(45)48-40(30-42-38-18-7-10-23-47(38)53-50(42)49(48)51)34-25-27-46-41(29-34)37-17-5-8-20-44(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)36-28-38-34-19-8-11-24-43(34)49-46(38)45-44(36)35-20-7-10-22-41(35)48(45)39-23-12-14-29-13-4-5-17-32(29)39/h2*1-30H;1-28H
InChIKeyNYNYIDZMAONLSF-UHFFFAOYSA-N
XLogP41.51
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002022.55
LogP ≤ 541.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
12-phenyl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160860799
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
5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 134530228
12-naphthalen-2-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530208
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
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
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
12-naphthalen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 159358561
12-naphthalen-2-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 157242347

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6sc5c5c4c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.c1ccc2cc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc5c6ccccc6sc5c43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccc6ccccc6c5)ccc43)ccc2c1.
What is the InChIKey of 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?
The InChIKey is NYNYIDZMAONLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H30N2S.C46H28N2S/c1-3-13-33-27-36(24-21-31(33)11-1)51-44-18-8-5-15-38(44)42-29-35(23-26-46(42)51)41-30-43-39-16-7-10-20-47(39)53-50(43)49-48(41)40-17-6-9-19-45(40)52(49)37-25-22-32-12-2-4-14-34(32)28-37;1-2-14-33-28-35(26-24-31(33)12-1)51-45-21-9-6-19-39(45)48-40(30-42-38-18-7-10-23-47(38)53-50(42)49(48)51)34-25-27-46-41(29-34)37-17-5-8-20-44(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)36-28-38-34-19-8-11-24-43(34)49-46(38)45-44(36)35-20-7-10-22-41(35)48(45)39-23-12-14-29-13-4-5-17-32(29)39/h2*1-30H;1-28H.
What are the key properties of 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?
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 has a molecular weight of 2022.55 g/mol, XLogP of 41.51, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159922238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).