2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine

C38H24F6N2 — CID 58771632

IUPAC2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)nc4n3)cc21
InChIInChI=1S/C38H24F6N2/c1-35(37(39,40)41)28-9-5-3-7-24(28)26-15-11-22(19-30(26)35)32-17-13-21-14-18-33(46-34(21)45-32)23-12-16-27-25-8-4-6-10-29(25)36(2,31(27)20-23)38(42,43)44/h3-20H,1-2H3
InChIKeyIRMHLODTVZGMCZ-UHFFFAOYSA-N
MW622.61 g/mol
LogP10.66
Rot. Bonds2

About 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine

2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine (PubChem CID 58771632) has the molecular formula C38H24F6N2 and a molecular weight of 622.61 g/mol. Its IUPAC name is 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine
PubChem CID58771632
Molecular FormulaC38H24F6N2
Molecular Weight622.61 g/mol
Exact Mass622.18
IUPAC Name2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)nc4n3)cc21
InChIInChI=1S/C38H24F6N2/c1-35(37(39,40)41)28-9-5-3-7-24(28)26-15-11-22(19-30(26)35)32-17-13-21-14-18-33(46-34(21)45-32)23-12-16-27-25-8-4-6-10-29(25)36(2,31(27)20-23)38(42,43)44/h3-20H,1-2H3
InChIKeyIRMHLODTVZGMCZ-UHFFFAOYSA-N
XLogP10.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.61
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine?
The IUPAC name of 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine (CID 58771632) is 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine.
What is the SMILES notation for 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine?
The canonical SMILES for 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine is CC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)nc4n3)cc21.
What is the InChIKey of 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine?
The InChIKey is IRMHLODTVZGMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F6N2/c1-35(37(39,40)41)28-9-5-3-7-24(28)26-15-11-22(19-30(26)35)32-17-13-21-14-18-33(46-34(21)45-32)23-12-16-27-25-8-4-6-10-29(25)36(2,31(27)20-23)38(42,43)44/h3-20H,1-2H3.
What are the key properties of 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine?
2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine has a molecular weight of 622.61 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine is sourced from PubChem (CID 58771632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).