2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine

C46H35N3 — CID 147464174

IUPAC2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine
SMILESCCc1ccc2c(c1)C(c1nc(C3c4ccccc4-c4ccccc43)nc(C3c4ccccc4-c4ccccc43)n1)c1cc(CC)ccc1-2
InChIInChI=1S/C46H35N3/c1-3-27-21-23-33-34-24-22-28(4-2)26-40(34)43(39(33)25-27)46-48-44(41-35-17-9-5-13-29(35)30-14-6-10-18-36(30)41)47-45(49-46)42-37-19-11-7-15-31(37)32-16-8-12-20-38(32)42/h5-26,41-43H,3-4H2,1-2H3
InChIKeyFAMWDVMMDOHOQW-UHFFFAOYSA-N
MW629.81 g/mol
LogP10.48
Rot. Bonds5

About 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine

2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine (PubChem CID 147464174) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine
PubChem CID147464174
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine
SMILESCCc1ccc2c(c1)C(c1nc(C3c4ccccc4-c4ccccc43)nc(C3c4ccccc4-c4ccccc43)n1)c1cc(CC)ccc1-2
InChIInChI=1S/C46H35N3/c1-3-27-21-23-33-34-24-22-28(4-2)26-40(34)43(39(33)25-27)46-48-44(41-35-17-9-5-13-29(35)30-14-6-10-18-36(30)41)47-45(49-46)42-37-19-11-7-15-31(37)32-16-8-12-20-38(32)42/h5-26,41-43H,3-4H2,1-2H3
InChIKeyFAMWDVMMDOHOQW-UHFFFAOYSA-N
XLogP10.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine with MolForge

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Related Compounds

9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene
CID 57060482
(2-ethyl-9H-fluoren-9-yl)methyl (1Z)-N-ethylethanehydrazonate
CID 91604509
3-ethylfluoren-9-one
CID 11344805
2-ethyl-6-fluoro-9H-fluoren-9-amine
CID 91046911
(2R,3S,4R,5R)-1-[3-ethyl-8-(2-ethylphenyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene]hexane-1,2,3,4,5,6-hexol
CID 70446664
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
(10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide
CID 59582754
14-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-6-(14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 58663736
ethane;2-ethylnaphthalene
CID 90684887
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole
CID 170365770
2-ethylanthracene-9,10-dione;1,2,3,4,5,6,7,8-octamethylanthracene-9,10-dione
CID 69114392

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine?
The IUPAC name of 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine (CID 147464174) is 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine?
The canonical SMILES for 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine is CCc1ccc2c(c1)C(c1nc(C3c4ccccc4-c4ccccc43)nc(C3c4ccccc4-c4ccccc43)n1)c1cc(CC)ccc1-2.
What is the InChIKey of 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine?
The InChIKey is FAMWDVMMDOHOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c1-3-27-21-23-33-34-24-22-28(4-2)26-40(34)43(39(33)25-27)46-48-44(41-35-17-9-5-13-29(35)30-14-6-10-18-36(30)41)47-45(49-46)42-37-19-11-7-15-31(37)32-16-8-12-20-38(32)42/h5-26,41-43H,3-4H2,1-2H3.
What are the key properties of 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine?
2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine has a molecular weight of 629.81 g/mol, XLogP of 10.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine is sourced from PubChem (CID 147464174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).