9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole

C51H30FN5S — CID 153300063

IUPAC9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole
SMILESFc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/C51H30FN5S/c52-45-43-37-25-11-16-30-42(37)58-48(43)47(57-40-28-14-9-23-35(40)36-24-10-15-29-41(36)57)46(56-38-26-12-7-21-33(38)34-22-8-13-27-39(34)56)44(45)51-54-49(31-17-3-1-4-18-31)53-50(55-51)32-19-5-2-6-20-32/h1-30H
InChIKeyCGXMBBJTGLMPKW-UHFFFAOYSA-N
MW763.90 g/mol
LogP13.57
Rot. Bonds5

About 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole

9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole (PubChem CID 153300063) has the molecular formula C51H30FN5S and a molecular weight of 763.90 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole
PubChem CID153300063
Molecular FormulaC51H30FN5S
Molecular Weight763.90 g/mol
Exact Mass763.22
IUPAC Name9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole
SMILESFc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/C51H30FN5S/c52-45-43-37-25-11-16-30-42(37)58-48(43)47(57-40-28-14-9-23-35(40)36-24-10-15-29-41(36)57)46(56-38-26-12-7-21-33(38)34-22-8-13-27-39(34)56)44(45)51-54-49(31-17-3-1-4-18-31)53-50(55-51)32-19-5-2-6-20-32/h1-30H
InChIKeyCGXMBBJTGLMPKW-UHFFFAOYSA-N
XLogP13.57
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

14-(4-phenylquinazolin-2-yl)-14H-benzo[c]benzo[4,5]thieno[2,3-a]carbazole
CID 89712268
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
N-[4-[9-(6-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195054
N-[4-[5-(6-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195089
N-(4-fluorophenyl)-N-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]dibenzothiophen-3-amine
CID 90224307
9-[4-[6-[4-(7-Fluorodibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 117659745
9-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-35-phenyl-18-thia-9,35-diazanonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.022,27.028,33]pentatriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21(34),22,24,26,28,30,32-hexadecaene
CID 117725981
9-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-35-phenyl-12-thia-9,35-diazanonacyclo[18.15.0.02,10.03,8.011,19.013,18.021,34.022,27.028,33]pentatriaconta-1,3,5,7,10,13,15,17,19,21(34),22,24,26,28,30,32-hexadecaene
CID 118634449
3-[9-[6-(8-Fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276719
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276722
3-[9-[6-(8-Fluorodibenzothiophen-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 121276725
3-[9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276727

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole (CID 153300063) is 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole is Fc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2sc3ccccc3c12.
What is the InChIKey of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole?
The InChIKey is CGXMBBJTGLMPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5S/c52-45-43-37-25-11-16-30-42(37)58-48(43)47(57-40-28-14-9-23-35(40)36-24-10-15-29-41(36)57)46(56-38-26-12-7-21-33(38)34-22-8-13-27-39(34)56)44(45)51-54-49(31-17-3-1-4-18-31)53-50(55-51)32-19-5-2-6-20-32/h1-30H.
What are the key properties of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole?
9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole has a molecular weight of 763.90 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 153300063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).