5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine

C42H29N3O — CID 175536310

IUPAC5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
SMILESCc1cc2c(c(-c3cnnnc3-c3ccccc3-c3c(-c4ccccc4)ccc4oc5ccccc5c34)c1C)Cc1ccccc1-2
InChIInChI=1S/C42H29N3O/c1-25-22-34-29-15-7-6-14-28(29)23-35(34)39(26(25)2)36-24-43-45-44-42(36)32-17-9-8-16-31(32)40-30(27-12-4-3-5-13-27)20-21-38-41(40)33-18-10-11-19-37(33)46-38/h3-22,24H,23H2,1-2H3
InChIKeyHNZACVAHXCCSCB-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.63
Rot. Bonds4

About 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine

5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine (PubChem CID 175536310) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine.

Molecular Properties

Compound Name5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
PubChem CID175536310
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
SMILESCc1cc2c(c(-c3cnnnc3-c3ccccc3-c3c(-c4ccccc4)ccc4oc5ccccc5c34)c1C)Cc1ccccc1-2
InChIInChI=1S/C42H29N3O/c1-25-22-34-29-15-7-6-14-28(29)23-35(34)39(26(25)2)36-24-43-45-44-42(36)32-17-9-8-16-31(32)40-30(27-12-4-3-5-13-27)20-21-38-41(40)33-18-10-11-19-37(33)46-38/h3-22,24H,23H2,1-2H3
InChIKeyHNZACVAHXCCSCB-UHFFFAOYSA-N
XLogP10.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 166134319
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,5,6-triphenylphenyl]triazine
CID 166133716
4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 166134357
4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 175828120
4,5-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-6-[2,3,4,5-tetradeuterio-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]phenyl]triazine
CID 172770527
4-[2-(2,3-dimethyl-9H-fluoren-1-yl)-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzothiophen-1-yl]-3-phenylphenyl]triazine
CID 166134982
4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
CID 166133942
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3,4,6-triphenyldibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 175810726
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-3-(2-phenylphenyl)dibenzoselenophen-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 175869346

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine?
The IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine (CID 175536310) is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine.
What is the SMILES notation for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine?
The canonical SMILES for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine is Cc1cc2c(c(-c3cnnnc3-c3ccccc3-c3c(-c4ccccc4)ccc4oc5ccccc5c34)c1C)Cc1ccccc1-2.
What is the InChIKey of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine?
The InChIKey is HNZACVAHXCCSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-25-22-34-29-15-7-6-14-28(29)23-35(34)39(26(25)2)36-24-43-45-44-42(36)32-17-9-8-16-31(32)40-30(27-12-4-3-5-13-27)20-21-38-41(40)33-18-10-11-19-37(33)46-38/h3-22,24H,23H2,1-2H3.
What are the key properties of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine?
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine has a molecular weight of 591.71 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine is sourced from PubChem (CID 175536310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).