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

C60H38N4S — CID 146183676

IUPAC9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)cccc32)cc1
InChIInChI=1S/C60H38N4S/c1-3-19-42(20-4-1)60(43-21-5-2-6-22-43)49-28-12-8-25-46(49)56-48(27-17-29-50(56)60)59-62-57(40-36-34-39(35-37-40)55-38-41-18-7-16-33-54(41)65-55)61-58(63-59)47-26-11-15-32-53(47)64-51-30-13-9-23-44(51)45-24-10-14-31-52(45)64/h1-38H
InChIKeyNHADSTNXLXRWQR-UHFFFAOYSA-N
MW847.06 g/mol
LogP15.21
Rot. Bonds7

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

9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 146183676) has the molecular formula C60H38N4S and a molecular weight of 847.06 g/mol. Its IUPAC name is 9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID146183676
Molecular FormulaC60H38N4S
Molecular Weight847.06 g/mol
Exact Mass846.28
IUPAC Name9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)cccc32)cc1
InChIInChI=1S/C60H38N4S/c1-3-19-42(20-4-1)60(43-21-5-2-6-22-43)49-28-12-8-25-46(49)56-48(27-17-29-50(56)60)59-62-57(40-36-34-39(35-37-40)55-38-41-18-7-16-33-54(41)65-55)61-58(63-59)47-26-11-15-32-53(47)64-51-30-13-9-23-44(51)45-24-10-14-31-52(45)64/h1-38H
InChIKeyNHADSTNXLXRWQR-UHFFFAOYSA-N
XLogP15.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.06
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167276198
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146183666
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 146246094
4-(1-benzothiophen-2-yl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 146186763
2-[4-(1-benzothiophen-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 146183519
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 146183218
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 166024873
2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)
CID 162163419
2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]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 157246893
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
2-dibenzothiophen-3-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278720

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 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) is 9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccccc5-n5c6ccccc6c6ccccc65)n4)cccc32)cc1.
What is the InChIKey of 9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is NHADSTNXLXRWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4S/c1-3-19-42(20-4-1)60(43-21-5-2-6-22-43)49-28-12-8-25-46(49)56-48(27-17-29-50(56)60)59-62-57(40-36-34-39(35-37-40)55-38-41-18-7-16-33-54(41)65-55)61-58(63-59)47-26-11-15-32-53(47)64-51-30-13-9-23-44(51)45-24-10-14-31-52(45)64/h1-38H.
What are the key properties of 9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 847.06 g/mol, XLogP of 15.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 146183676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).