9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

C58H36N4S — CID 167276198

IUPAC9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccccc5-n5c6ccccc6c6ccccc65)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1
InChIInChI=1S/C58H36N4S/c1-3-19-37(20-4-1)58(38-21-5-2-6-22-38)47-31-12-7-26-43(47)53-45(29-18-32-48(53)58)56-59-55(60-57(61-56)46-30-17-28-42-41-25-11-16-36-52(41)63-54(42)46)44-27-10-15-35-51(44)62-49-33-13-8-23-39(49)40-24-9-14-34-50(40)62/h1-36H
InChIKeyLMWVNCQRMABIAT-UHFFFAOYSA-N
MW821.02 g/mol
LogP14.70
Rot. Bonds6

About 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 167276198) has the molecular formula C58H36N4S and a molecular weight of 821.02 g/mol. Its IUPAC name is 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID167276198
Molecular FormulaC58H36N4S
Molecular Weight821.02 g/mol
Exact Mass820.27
IUPAC Name9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccccc5-n5c6ccccc6c6ccccc65)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1
InChIInChI=1S/C58H36N4S/c1-3-19-37(20-4-1)58(38-21-5-2-6-22-38)47-31-12-7-26-43(47)53-45(29-18-32-48(53)58)56-59-55(60-57(61-56)46-30-17-28-42-41-25-11-16-36-52(41)63-54(42)46)44-27-10-15-35-51(44)62-49-33-13-8-23-39(49)40-24-9-14-34-50(40)62/h1-36H
InChIKeyLMWVNCQRMABIAT-UHFFFAOYSA-N
XLogP14.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.02
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146183676
2,4-di(dibenzothiophen-4-yl)-6-(9,9-diphenylfluoren-4-yl)pyrimidine
CID 167349336
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 166024873
9-[2-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167276199
2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349773
2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 163760786
2-chloro-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;dibenzothiophen-4-ylboronic acid;2,4-dichloro-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167574374
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 167545940
2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine
CID 167349621
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 166024821
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167638600
12-(2-spiro[9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene-29,9'-fluorene]-10-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 159887373

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 167276198) is 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccccc5-n5c6ccccc6c6ccccc65)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1.
What is the InChIKey of 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is LMWVNCQRMABIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4S/c1-3-19-37(20-4-1)58(38-21-5-2-6-22-38)47-31-12-7-26-43(47)53-45(29-18-32-48(53)58)56-59-55(60-57(61-56)46-30-17-28-42-41-25-11-16-36-52(41)63-54(42)46)44-27-10-15-35-51(44)62-49-33-13-8-23-39(49)40-24-9-14-34-50(40)62/h1-36H.
What are the key properties of 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 821.02 g/mol, XLogP of 14.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 167276198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).