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

C29H18N2 — CID 118408607

IUPAC2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C#N)ccc2-c2ccc(C#N)cc21
InChIInChI=1S/C29H18N2/c1-17-3-7-21-22-8-4-18(2)12-26(22)29(25(21)11-17)27-13-19(15-30)5-9-23(27)24-10-6-20(16-31)14-28(24)29/h3-14H,1-2H3
InChIKeyBMGXKXFTEJHRLE-UHFFFAOYSA-N
MW394.48 g/mol
LogP6.39
Rot. Bonds

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

2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile (PubChem CID 118408607) has the molecular formula C29H18N2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile.

Molecular Properties

Compound Name2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
PubChem CID118408607
Molecular FormulaC29H18N2
Molecular Weight394.48 g/mol
Exact Mass394.15
IUPAC Name2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C#N)ccc2-c2ccc(C#N)cc21
InChIInChI=1S/C29H18N2/c1-17-3-7-21-22-8-4-18(2)12-26(22)29(25(21)11-17)27-13-19(15-30)5-9-23(27)24-10-6-20(16-31)14-28(24)29/h3-14H,1-2H3
InChIKeyBMGXKXFTEJHRLE-UHFFFAOYSA-N
XLogP6.39
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,9,9-trimethylfluorene-2-carbonitrile
CID 129176208
2'-[bis(4-methylphenyl)methyl]-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
CID 170024729
4-[2',7,7'-tris(4-cyanophenyl)-9,9'-spirobi[fluorene]-2-yl]benzonitrile
CID 59565907
2'-[1,1-bis(4-methylphenyl)propan-2-yl]-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
CID 123388865
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196
2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
CID 118260232
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
ethane;2'-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
CID 142355523
CID 58607554
CID 58607554

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile?
The IUPAC name of 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile (CID 118408607) is 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile.
What is the SMILES notation for 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile?
The canonical SMILES for 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C#N)ccc2-c2ccc(C#N)cc21.
What is the InChIKey of 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile?
The InChIKey is BMGXKXFTEJHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2/c1-17-3-7-21-22-8-4-18(2)12-26(22)29(25(21)11-17)27-13-19(15-30)5-9-23(27)24-10-6-20(16-31)14-28(24)29/h3-14H,1-2H3.
What are the key properties of 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile?
2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile has a molecular weight of 394.48 g/mol, XLogP of 6.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile is sourced from PubChem (CID 118408607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).