ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine

C39H49N3 — CID 161386785

IUPACethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.Cc1nc(C)nc(C)n1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C6H9N3.4C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-4-7-5(2)9-6(3)8-4;4*1-2/h1-16H;1-3H3;4*1-2H3
InChIKeyVSLMBTGTKMNBAO-UHFFFAOYSA-N
MW559.84 g/mol
LogP10.93
Rot. Bonds

About ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine

ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine (PubChem CID 161386785) has the molecular formula C39H49N3 and a molecular weight of 559.84 g/mol. Its IUPAC name is ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Nameethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
PubChem CID161386785
Molecular FormulaC39H49N3
Molecular Weight559.84 g/mol
Exact Mass559.39
IUPAC Nameethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.Cc1nc(C)nc(C)n1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C6H9N3.4C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-4-7-5(2)9-6(3)8-4;4*1-2/h1-16H;1-3H3;4*1-2H3
InChIKeyVSLMBTGTKMNBAO-UHFFFAOYSA-N
XLogP10.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.84
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine
CID 170265009
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
CID 58607554
CID 58607554
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
9,9-dinaphthalen-1-ylfluorene
CID 140680296
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395

Frequently Asked Questions

What is the IUPAC name of ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine (CID 161386785) is ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine is CC.CC.CC.CC.Cc1nc(C)nc(C)n1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is VSLMBTGTKMNBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C6H9N3.4C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-4-7-5(2)9-6(3)8-4;4*1-2/h1-16H;1-3H3;4*1-2H3.
What are the key properties of ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine?
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 559.84 g/mol, XLogP of 10.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 161386785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).