3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole

C53H33NS — CID 126754174

IUPAC3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccc(-c6ccc7c(c6)sc6ccccc67)c6ccccc46)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C53H33NS/c1-2-12-36(13-3-1)54-49-20-10-8-17-42(49)47-30-34(24-29-50(47)54)33-22-25-41-40-16-6-7-19-45(40)53(48(41)31-33)46-28-27-37(38-14-4-5-15-39(38)46)35-23-26-44-43-18-9-11-21-51(43)55-52(44)32-35/h1-32,53H
InChIKeyOAPORCZUBISXTA-UHFFFAOYSA-N
MW715.92 g/mol
LogP14.80
Rot. Bonds4

About 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole

3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole (PubChem CID 126754174) has the molecular formula C53H33NS and a molecular weight of 715.92 g/mol. Its IUPAC name is 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole
PubChem CID126754174
Molecular FormulaC53H33NS
Molecular Weight715.92 g/mol
Exact Mass715.23
IUPAC Name3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccc(-c6ccc7c(c6)sc6ccccc67)c6ccccc46)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C53H33NS/c1-2-12-36(13-3-1)54-49-20-10-8-17-42(49)47-30-34(24-29-50(47)54)33-22-25-41-40-16-6-7-19-45(40)53(48(41)31-33)46-28-27-37(38-14-4-5-15-39(38)46)35-23-26-44-43-18-9-11-21-51(43)55-52(44)32-35/h1-32,53H
InChIKeyOAPORCZUBISXTA-UHFFFAOYSA-N
XLogP14.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.92
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazole
CID 158654712
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole (CID 126754174) is 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccc(-c6ccc7c(c6)sc6ccccc67)c6ccccc46)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole?
The InChIKey is OAPORCZUBISXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NS/c1-2-12-36(13-3-1)54-49-20-10-8-17-42(49)47-30-34(24-29-50(47)54)33-22-25-41-40-16-6-7-19-45(40)53(48(41)31-33)46-28-27-37(38-14-4-5-15-39(38)46)35-23-26-44-43-18-9-11-21-51(43)55-52(44)32-35/h1-32,53H.
What are the key properties of 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole?
3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole has a molecular weight of 715.92 g/mol, XLogP of 14.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 126754174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).