2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

C40H24ClN3S — CID 170305782

IUPAC2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C40H24ClN3S/c41-39-43-37(42-38(44-39)26-20-23-32-31-14-6-9-17-35(31)45-36(32)24-26)25-18-21-28(22-19-25)40(27-10-2-1-3-11-27)33-15-7-4-12-29(33)30-13-5-8-16-34(30)40/h1-24H
InChIKeyRYQNMBOSKJJWCG-UHFFFAOYSA-N
MW614.17 g/mol
LogP10.59
Rot. Bonds4

About 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 170305782) has the molecular formula C40H24ClN3S and a molecular weight of 614.17 g/mol. Its IUPAC name is 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
PubChem CID170305782
Molecular FormulaC40H24ClN3S
Molecular Weight614.17 g/mol
Exact Mass613.14
IUPAC Name2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C40H24ClN3S/c41-39-43-37(42-38(44-39)26-20-23-32-31-14-6-9-17-35(31)45-36(32)24-26)25-18-21-28(22-19-25)40(27-10-2-1-3-11-27)33-15-7-4-12-29(33)30-13-5-8-16-34(30)40/h1-24H
InChIKeyRYQNMBOSKJJWCG-UHFFFAOYSA-N
XLogP10.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.17
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821280
2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821165
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487380
4-dibenzothiophen-3-yl-6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602085
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
2-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 148966276
4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603562
2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
CID 162487301
4-(4-dibenzothiophen-3-ylphenyl)-6-[2-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171603348
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (CID 170305782) is 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is Clc1nc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)nc(-c2ccc3c(c2)sc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is RYQNMBOSKJJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24ClN3S/c41-39-43-37(42-38(44-39)26-20-23-32-31-14-6-9-17-35(31)45-36(32)24-26)25-18-21-28(22-19-25)40(27-10-2-1-3-11-27)33-15-7-4-12-29(33)30-13-5-8-16-34(30)40/h1-24H.
What are the key properties of 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 614.17 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170305782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).