9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole

C46H25NS2 — CID 134301090

IUPAC9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1sc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc2c13
InChIInChI=1S/C46H25NS2/c1-2-9-30-29(8-1)34-12-7-13-35-45(34)37(30)25-44-46(35)38-23-27(17-21-42(38)49-44)26-16-20-40-36(22-26)31-10-3-5-14-39(31)47(40)28-18-19-33-32-11-4-6-15-41(32)48-43(33)24-28/h1-25H
InChIKeyZSKGBZAJTDKDEO-UHFFFAOYSA-N
MW655.85 g/mol
LogP13.99
Rot. Bonds2

About 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole

9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole (PubChem CID 134301090) has the molecular formula C46H25NS2 and a molecular weight of 655.85 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
PubChem CID134301090
Molecular FormulaC46H25NS2
Molecular Weight655.85 g/mol
Exact Mass655.14
IUPAC Name9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1sc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc2c13
InChIInChI=1S/C46H25NS2/c1-2-9-30-29(8-1)34-12-7-13-35-45(34)37(30)25-44-46(35)38-23-27(17-21-42(38)49-44)26-16-20-40-36(22-26)31-10-3-5-14-39(31)47(40)28-18-19-33-32-11-4-6-15-41(32)48-43(33)24-28/h1-25H
InChIKeyZSKGBZAJTDKDEO-UHFFFAOYSA-N
XLogP13.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.85
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole with MolForge

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Related Compounds

9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301089
9-dibenzothiophen-3-yl-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301066
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)carbazole;prop-1-ene
CID 142292975
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
CID 122434657
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene
CID 142293102
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
CID 144619443
CID 144619443
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole?
The IUPAC name of 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole (CID 134301090) is 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole.
What is the SMILES notation for 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole?
The canonical SMILES for 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole is c1ccc2c(c1)-c1cccc3c1c-2cc1sc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)cc2c13.
What is the InChIKey of 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole?
The InChIKey is ZSKGBZAJTDKDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25NS2/c1-2-9-30-29(8-1)34-12-7-13-35-45(34)37(30)25-44-46(35)38-23-27(17-21-42(38)49-44)26-16-20-40-36(22-26)31-10-3-5-14-39(31)47(40)28-18-19-33-32-11-4-6-15-41(32)48-43(33)24-28/h1-25H.
What are the key properties of 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole?
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole has a molecular weight of 655.85 g/mol, XLogP of 13.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole is sourced from PubChem (CID 134301090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).