9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole

C40H23NS — CID 122434657

IUPAC9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)ccc1-2
InChIInChI=1S/C40H23NS/c1-3-13-36-29(9-1)34-22-26(25-15-18-28-31-11-5-7-24-8-6-12-32(40(24)31)33(28)21-25)16-19-37(34)41(36)27-17-20-39-35(23-27)30-10-2-4-14-38(30)42-39/h1-23H
InChIKeyRNCTZXGZTYUFRE-UHFFFAOYSA-N
MW549.70 g/mol
LogP11.62
Rot. Bonds2

About 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole

9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole (PubChem CID 122434657) has the molecular formula C40H23NS and a molecular weight of 549.70 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
PubChem CID122434657
Molecular FormulaC40H23NS
Molecular Weight549.70 g/mol
Exact Mass549.16
IUPAC Name9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)ccc1-2
InChIInChI=1S/C40H23NS/c1-3-13-36-29(9-1)34-22-26(25-15-18-28-31-11-5-7-24-8-6-12-32(40(24)31)33(28)21-25)16-19-37(34)41(36)27-17-20-39-35(23-27)30-10-2-4-14-38(30)42-39/h1-23H
InChIKeyRNCTZXGZTYUFRE-UHFFFAOYSA-N
XLogP11.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.70
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
CID 144619443
CID 144619443
4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434564
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
2-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole;1-methylnaphthalene
CID 144820946
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole (CID 122434657) is 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole is c1cc2c3c(cccc3c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)ccc1-2.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole?
The InChIKey is RNCTZXGZTYUFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NS/c1-3-13-36-29(9-1)34-22-26(25-15-18-28-31-11-5-7-24-8-6-12-32(40(24)31)33(28)21-25)16-19-37(34)41(36)27-17-20-39-35(23-27)30-10-2-4-14-38(30)42-39/h1-23H.
What are the key properties of 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole?
9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole has a molecular weight of 549.70 g/mol, XLogP of 11.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole is sourced from PubChem (CID 122434657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).