2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]

C29H24O2 — CID 170925493

IUPAC2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]
SMILESCOc1ccc2c(c1)C1(c3cc(C)ccc3-c3ccc(C)cc31)c1cc(OC)ccc1-2
InChIInChI=1S/C29H24O2/c1-17-5-9-21-22-10-6-18(2)14-26(22)29(25(21)13-17)27-15-19(30-3)7-11-23(27)24-12-8-20(31-4)16-28(24)29/h5-16H,1-4H3
InChIKeyKECTWQWQYKJJGH-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.66
Rot. Bonds2

About 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]

2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene] (PubChem CID 170925493) has the molecular formula C29H24O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]
PubChem CID170925493
Molecular FormulaC29H24O2
Molecular Weight404.51 g/mol
Exact Mass404.18
IUPAC Name2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]
SMILESCOc1ccc2c(c1)C1(c3cc(C)ccc3-c3ccc(C)cc31)c1cc(OC)ccc1-2
InChIInChI=1S/C29H24O2/c1-17-5-9-21-22-10-6-18(2)14-26(22)29(25(21)13-17)27-15-19(30-3)7-11-23(27)24-12-8-20(31-4)16-28(24)29/h5-16H,1-4H3
InChIKeyKECTWQWQYKJJGH-UHFFFAOYSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
4-[9-(4-hydroxyphenyl)-2-methoxy-6-methylfluoren-9-yl]phenol
CID 171415364
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
6'-methoxy-6-methyl-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118316397
2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine
CID 163763499
2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane
CID 158619451
CID 58607554
CID 58607554
2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene] (CID 170925493) is 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene] is COc1ccc2c(c1)C1(c3cc(C)ccc3-c3ccc(C)cc31)c1cc(OC)ccc1-2.
What is the InChIKey of 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]?
The InChIKey is KECTWQWQYKJJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O2/c1-17-5-9-21-22-10-6-18(2)14-26(22)29(25(21)13-17)27-15-19(30-3)7-11-23(27)24-12-8-20(31-4)16-28(24)29/h5-16H,1-4H3.
What are the key properties of 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]?
2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene] has a molecular weight of 404.51 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 170925493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).