12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole

C139H86N6S2 — CID 158070400

IUPAC12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccc5ccccc5c4)-c4ccccc4C6)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c7ccccc7sc6c4n5-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C47H30N2.2C46H28N2S/c1-2-13-36(14-3-1)48-43-17-9-8-16-39(43)41-28-32(20-24-44(41)48)33-21-25-45-42(29-33)40-23-19-35-26-34-12-6-7-15-38(34)46(35)47(40)49(45)37-22-18-30-10-4-5-11-31(30)27-37;1-2-12-33(13-3-1)47-41-16-8-6-14-35(41)39-27-31(19-24-42(39)47)32-20-25-43-40(28-32)37-22-23-38-36-15-7-9-17-44(36)49-46(38)45(37)48(43)34-21-18-29-10-4-5-11-30(29)26-34;1-2-12-33(13-3-1)47-40-16-8-6-14-35(40)38-27-31(19-23-41(38)47)32-20-24-42-39(28-32)45-43(25-22-37-36-15-7-9-17-44(36)49-46(37)45)48(42)34-21-18-29-10-4-5-11-30(29)26-34/h1-25,27-29H,26H2;2*1-28H
InChIKeyFLTFHAAJAPDCSF-UHFFFAOYSA-N
MW1904.39 g/mol
LogP38.41
Rot. Bonds9

About 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole

12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole (PubChem CID 158070400) has the molecular formula C139H86N6S2 and a molecular weight of 1904.39 g/mol. Its IUPAC name is 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole
PubChem CID158070400
Molecular FormulaC139H86N6S2
Molecular Weight1904.39 g/mol
Exact Mass1902.64
IUPAC Name12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccc5ccccc5c4)-c4ccccc4C6)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c7ccccc7sc6c4n5-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C47H30N2.2C46H28N2S/c1-2-13-36(14-3-1)48-43-17-9-8-16-39(43)41-28-32(20-24-44(41)48)33-21-25-45-42(29-33)40-23-19-35-26-34-12-6-7-15-38(34)46(35)47(40)49(45)37-22-18-30-10-4-5-11-31(30)27-37;1-2-12-33(13-3-1)47-41-16-8-6-14-35(41)39-27-31(19-24-42(39)47)32-20-25-43-40(28-32)37-22-23-38-36-15-7-9-17-44(36)49-46(38)45(37)48(43)34-21-18-29-10-4-5-11-30(29)26-34;1-2-12-33(13-3-1)47-40-16-8-6-14-35(40)38-27-31(19-23-41(38)47)32-20-24-42-39(28-32)45-43(25-22-37-36-15-7-9-17-44(36)49-46(37)45)48(42)34-21-18-29-10-4-5-11-30(29)26-34/h1-25,27-29H,26H2;2*1-28H
InChIKeyFLTFHAAJAPDCSF-UHFFFAOYSA-N
XLogP38.41
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001904.39
LogP ≤ 538.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole with MolForge

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Related Compounds

12-naphthalen-2-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 157242347
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
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-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 167193290
9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[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;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[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 162177194
7,7-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;3-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;9-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 161246000
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
3-(4-carbazol-9-yl-2-methylphenyl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 121287072
12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170284217
12-naphthalen-2-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530208
5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole
CID 159391615
12-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 158507542

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole?
The IUPAC name of 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole (CID 158070400) is 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole.
What is the SMILES notation for 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole?
The canonical SMILES for 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccc5ccccc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c(c4n5-c4ccc5ccccc5c4)-c4ccccc4C6)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c7ccccc7sc6c4n5-c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole?
The InChIKey is FLTFHAAJAPDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2.2C46H28N2S/c1-2-13-36(14-3-1)48-43-17-9-8-16-39(43)41-28-32(20-24-44(41)48)33-21-25-45-42(29-33)40-23-19-35-26-34-12-6-7-15-38(34)46(35)47(40)49(45)37-22-18-30-10-4-5-11-31(30)27-37;1-2-12-33(13-3-1)47-41-16-8-6-14-35(41)39-27-31(19-24-42(39)47)32-20-25-43-40(28-32)37-22-23-38-36-15-7-9-17-44(36)49-46(38)45(37)48(43)34-21-18-29-10-4-5-11-30(29)26-34;1-2-12-33(13-3-1)47-40-16-8-6-14-35(40)38-27-31(19-23-41(38)47)32-20-24-42-39(28-32)45-43(25-22-37-36-15-7-9-17-44(36)49-46(37)45)48(42)34-21-18-29-10-4-5-11-30(29)26-34/h1-25,27-29H,26H2;2*1-28H.
What are the key properties of 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole?
12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole has a molecular weight of 1904.39 g/mol, XLogP of 38.41, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;12-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-7H-indeno[1,2-a]carbazole is sourced from PubChem (CID 158070400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).