2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C92H56N4S2 — CID 159718428

IUPAC2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3c4c(ccc32)sc2ccccc24)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/2C46H28N2S/c1-2-13-32(14-3-1)47-42-25-22-31(28-38(42)45-43(47)26-23-36-35-17-7-9-20-44(35)49-46(36)45)30-21-24-41-37(27-30)34-16-6-8-18-40(34)48(41)39-19-10-12-29-11-4-5-15-33(29)39;1-2-13-32(14-3-1)47-41-24-22-31(28-37(41)45-42(47)25-26-44-46(45)35-17-7-9-20-43(35)49-44)30-21-23-40-36(27-30)34-16-6-8-18-39(34)48(40)38-19-10-12-29-11-4-5-15-33(29)38/h2*1-28H
InChIKeyMZSMJEXKQAOLHA-UHFFFAOYSA-N
MW1281.62 g/mol
LogP26.14
Rot. Bonds6

About 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 159718428) has the molecular formula C92H56N4S2 and a molecular weight of 1281.62 g/mol. Its IUPAC name is 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
PubChem CID159718428
Molecular FormulaC92H56N4S2
Molecular Weight1281.62 g/mol
Exact Mass1280.39
IUPAC Name2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3c4c(ccc32)sc2ccccc24)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/2C46H28N2S/c1-2-13-32(14-3-1)47-42-25-22-31(28-38(42)45-43(47)26-23-36-35-17-7-9-20-44(35)49-46(36)45)30-21-24-41-37(27-30)34-16-6-8-18-40(34)48(41)39-19-10-12-29-11-4-5-15-33(29)39;1-2-13-32(14-3-1)47-41-24-22-31(28-37(41)45-42(47)25-26-44-46(45)35-17-7-9-20-43(35)49-44)30-21-23-40-36(27-30)34-16-6-8-18-39(34)48(40)38-19-10-12-29-11-4-5-15-33(29)38/h2*1-28H
InChIKeyMZSMJEXKQAOLHA-UHFFFAOYSA-N
XLogP26.14
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001281.62
LogP ≤ 526.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene with MolForge

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Related Compounds

2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
14-phenyl-18-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593675
3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
3-carbazol-9-yl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)aniline
CID 165023342
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
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-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
14-phenyl-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593601

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The IUPAC name of 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 159718428) is 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3c4c(ccc32)sc2ccccc24)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3c3c4sc5ccccc5c4ccc32)cc1.
What is the InChIKey of 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The InChIKey is MZSMJEXKQAOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2S/c1-2-13-32(14-3-1)47-42-25-22-31(28-38(42)45-43(47)26-23-36-35-17-7-9-20-44(35)49-46(36)45)30-21-24-41-37(27-30)34-16-6-8-18-40(34)48(41)39-19-10-12-29-11-4-5-15-33(29)39;1-2-13-32(14-3-1)47-41-24-22-31(28-37(41)45-42(47)25-26-44-46(45)35-17-7-9-20-43(35)49-44)30-21-23-40-36(27-30)34-16-6-8-18-39(34)48(40)38-19-10-12-29-11-4-5-15-33(29)38/h2*1-28H.
What are the key properties of 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene has a molecular weight of 1281.62 g/mol, XLogP of 26.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;18-(9-naphthalen-1-ylcarbazol-3-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 159718428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).