2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine

C48H29N3OS — CID 146246094

IUPAC2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cc6ccccc6s5)n4)cccc32)cc1
InChIInChI=1S/C48H29N3OS/c1-3-15-32(16-4-1)48(33-17-5-2-6-18-33)38-22-10-8-20-36(38)44-37(21-13-23-39(44)48)46-49-45(50-47(51-46)43-29-30-14-7-12-25-42(30)53-43)31-26-27-35-34-19-9-11-24-40(34)52-41(35)28-31/h1-29H
InChIKeySKQROTNJCRZGLJ-UHFFFAOYSA-N
MW695.85 g/mol
LogP12.35
Rot. Bonds5

About 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine

2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (PubChem CID 146246094) has the molecular formula C48H29N3OS and a molecular weight of 695.85 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
PubChem CID146246094
Molecular FormulaC48H29N3OS
Molecular Weight695.85 g/mol
Exact Mass695.20
IUPAC Name2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cc6ccccc6s5)n4)cccc32)cc1
InChIInChI=1S/C48H29N3OS/c1-3-15-32(16-4-1)48(33-17-5-2-6-18-33)38-22-10-8-20-36(38)44-37(21-13-23-39(44)48)46-49-45(50-47(51-46)43-29-30-14-7-12-25-42(30)53-43)31-26-27-35-34-19-9-11-24-40(34)52-41(35)28-31/h1-29H
InChIKeySKQROTNJCRZGLJ-UHFFFAOYSA-N
XLogP12.35
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.85
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
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-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186752
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine;2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine
CID 159464672
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-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
CID 174359245
2-dibenzofuran-3-yl-4-[3-(3-dimethylphosphorylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 146505830
2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349773
2-dibenzothiophen-3-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278720
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002387
2-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (CID 146246094) is 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cc6ccccc6s5)n4)cccc32)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
The InChIKey is SKQROTNJCRZGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3OS/c1-3-15-32(16-4-1)48(33-17-5-2-6-18-33)38-22-10-8-20-36(38)44-37(21-13-23-39(44)48)46-49-45(50-47(51-46)43-29-30-14-7-12-25-42(30)53-43)31-26-27-35-34-19-9-11-24-40(34)52-41(35)28-31/h1-29H.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine?
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine has a molecular weight of 695.85 g/mol, XLogP of 12.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine is sourced from PubChem (CID 146246094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).