2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole

C42H30N4 — CID 166133765

IUPAC2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole
SMILESCc1cc2c(c(-c3ccc4c([nH]c5ccccc54)c3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c1C)Cc1ccccc1-2
InChIInChI=1S/C42H30N4/c1-25-23-34-30-18-10-9-17-29(30)24-35(34)37(26(25)2)33-22-21-32-31-19-11-12-20-36(31)43-41(32)39(33)42-38(27-13-5-3-6-14-27)40(44-46-45-42)28-15-7-4-8-16-28/h3-23,43H,24H2,1-2H3
InChIKeyFZUIZVKFOGVFSW-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.36
Rot. Bonds4

About 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole

2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole (PubChem CID 166133765) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole.

Molecular Properties

Compound Name2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole
PubChem CID166133765
Molecular FormulaC42H30N4
Molecular Weight590.73 g/mol
Exact Mass590.25
IUPAC Name2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole
SMILESCc1cc2c(c(-c3ccc4c([nH]c5ccccc54)c3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c1C)Cc1ccccc1-2
InChIInChI=1S/C42H30N4/c1-25-23-34-30-18-10-9-17-29(30)24-35(34)37(26(25)2)33-22-21-32-31-19-11-12-20-36(31)43-41(32)39(33)42-38(27-13-5-3-6-14-27)40(44-46-45-42)28-15-7-4-8-16-28/h3-23,43H,24H2,1-2H3
InChIKeyFZUIZVKFOGVFSW-UHFFFAOYSA-N
XLogP10.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
CID 166134177
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-benzoselenophen-2-yl]phenyl]-6-phenyltriazine
CID 166133641
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-(3-phenyl-1-benzoselenophen-2-yl)-6-(2-phenylphenyl)triazine
CID 166134239
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166134087
2-(9H-fluoren-1-yl)-3,4-dimethyl-1-phenyl-9H-carbazole
CID 175536427
N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline
CID 175031439
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310
7-[5,6-bis(2,3-dimethyl-9H-fluoren-1-yl)triazin-4-yl]-5-thia-6-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,6,8,11,14,16,18-nonaene
CID 166133939

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole?
The IUPAC name of 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole (CID 166133765) is 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole.
What is the SMILES notation for 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole?
The canonical SMILES for 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole is Cc1cc2c(c(-c3ccc4c([nH]c5ccccc54)c3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c1C)Cc1ccccc1-2.
What is the InChIKey of 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole?
The InChIKey is FZUIZVKFOGVFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-25-23-34-30-18-10-9-17-29(30)24-35(34)37(26(25)2)33-22-21-32-31-19-11-12-20-36(31)43-41(32)39(33)42-38(27-13-5-3-6-14-27)40(44-46-45-42)28-15-7-4-8-16-28/h3-23,43H,24H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole?
2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole has a molecular weight of 590.73 g/mol, XLogP of 10.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole is sourced from PubChem (CID 166133765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).