9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole

C57H33F2N5S2 — CID 144597247

IUPAC9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
SMILESFc1ccc2sc3ccc(-c4nc(-c5ccc6sc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C7C=CC=CC7N8c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C57H33F2N5S2/c58-36-18-24-53-45(30-36)43-28-34(16-22-51(43)65-53)55-60-56(35-17-23-52-44(29-35)46-31-37(59)19-25-54(46)66-52)62-57(61-55)64-48-13-7-5-11-40(48)42-27-33(15-21-50(42)64)32-14-20-49-41(26-32)39-10-4-6-12-47(39)63(49)38-8-2-1-3-9-38/h1-31,39,47H
InChIKeyGALSJKYOZYCYGO-UHFFFAOYSA-N
MW890.06 g/mol
LogP15.71
Rot. Bonds5

About 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole

9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole (PubChem CID 144597247) has the molecular formula C57H33F2N5S2 and a molecular weight of 890.06 g/mol. Its IUPAC name is 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
PubChem CID144597247
Molecular FormulaC57H33F2N5S2
Molecular Weight890.06 g/mol
Exact Mass889.21
IUPAC Name9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
SMILESFc1ccc2sc3ccc(-c4nc(-c5ccc6sc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C7C=CC=CC7N8c7ccccc7)ccc65)n4)cc3c2c1
InChIInChI=1S/C57H33F2N5S2/c58-36-18-24-53-45(30-36)43-28-34(16-22-51(43)65-53)55-60-56(35-17-23-52-44(29-35)46-31-37(59)19-25-54(46)66-52)62-57(61-55)64-48-13-7-5-11-40(48)42-27-33(15-21-50(42)64)32-14-20-49-41(26-32)39-10-4-6-12-47(39)63(49)38-8-2-1-3-9-38/h1-31,39,47H
InChIKeyGALSJKYOZYCYGO-UHFFFAOYSA-N
XLogP15.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.06
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-Bis[4-[8-(1-benzothiophen-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69324012
3-Dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole
CID 71004833
2-(5a,6,7,9a-Tetrahydrodibenzothiophen-4-yl)-9-(4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl)-6-fluorocarbazole
CID 71007486
20-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-16-fluoro-9-thia-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 89862285
2-[3,5-Di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89991574
4-[3,5-Di(dibenzothiophen-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89991654
4-[3,5-Di(dibenzothiophen-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89991930
2-[3,5-Di(dibenzothiophen-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89992076
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[9-(6-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195054
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195086
N-[4-[5-(6-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195089

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole (CID 144597247) is 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole is Fc1ccc2sc3ccc(-c4nc(-c5ccc6sc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C7C=CC=CC7N8c7ccccc7)ccc65)n4)cc3c2c1.
What is the InChIKey of 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The InChIKey is GALSJKYOZYCYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33F2N5S2/c58-36-18-24-53-45(30-36)43-28-34(16-22-51(43)65-53)55-60-56(35-17-23-52-44(29-35)46-31-37(59)19-25-54(46)66-52)62-57(61-55)64-48-13-7-5-11-40(48)42-27-33(15-21-50(42)64)32-14-20-49-41(26-32)39-10-4-6-12-47(39)63(49)38-8-2-1-3-9-38/h1-31,39,47H.
What are the key properties of 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole has a molecular weight of 890.06 g/mol, XLogP of 15.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 144597247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).