2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine

C43H29N3S — CID 142353368

IUPAC2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine
SMILESC/C=C/c1ccc(-c2cccc3c2Cc2cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c2-3)cc1
InChIInChI=1S/C43H29N3S/c1-2-11-27-22-24-28(25-23-27)31-16-9-17-33-37(31)26-30-14-8-19-35(39(30)33)42-44-41(29-12-4-3-5-13-29)45-43(46-42)36-20-10-18-34-32-15-6-7-21-38(32)47-40(34)36/h2-25H,26H2,1H3/b11-2+
InChIKeyKMWUXDDHZNLPMY-BIIKFXOESA-N
MW619.79 g/mol
LogP11.51
Rot. Bonds5

About 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine

2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine (PubChem CID 142353368) has the molecular formula C43H29N3S and a molecular weight of 619.79 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine
PubChem CID142353368
Molecular FormulaC43H29N3S
Molecular Weight619.79 g/mol
Exact Mass619.21
IUPAC Name2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine
SMILESC/C=C/c1ccc(-c2cccc3c2Cc2cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c2-3)cc1
InChIInChI=1S/C43H29N3S/c1-2-11-27-22-24-28(25-23-27)31-16-9-17-33-37(31)26-30-14-8-19-35(39(30)33)42-44-41(29-12-4-3-5-13-29)45-43(46-42)36-20-10-18-34-32-15-6-7-21-38(32)47-40(34)36/h2-25H,26H2,1H3/b11-2+
InChIKeyKMWUXDDHZNLPMY-BIIKFXOESA-N
XLogP11.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.79
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-dibenzothiophen-4-yl-4-ethyl-6-phenyl-1,3,5-triazine
CID 146367883
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139441835
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828284
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 155763933
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
buta-1,3-diene;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425240

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine (CID 142353368) is 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine is C/C=C/c1ccc(-c2cccc3c2Cc2cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c2-3)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine?
The InChIKey is KMWUXDDHZNLPMY-BIIKFXOESA-N. The full InChI is InChI=1S/C43H29N3S/c1-2-11-27-22-24-28(25-23-27)31-16-9-17-33-37(31)26-30-14-8-19-35(39(30)33)42-44-41(29-12-4-3-5-13-29)45-43(46-42)36-20-10-18-34-32-15-6-7-21-38(32)47-40(34)36/h2-25H,26H2,1H3/b11-2+.
What are the key properties of 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine has a molecular weight of 619.79 g/mol, XLogP of 11.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-phenyl-6-[8-[4-[(E)-prop-1-enyl]phenyl]-9H-fluoren-4-yl]-1,3,5-triazine is sourced from PubChem (CID 142353368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).