3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile

C35H25N — CID 146495516

IUPAC3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(C#N)c4)cccc32)c2ccccc21
InChIInChI=1S/C35H25N/c1-34(2)28-16-5-7-18-30(28)35(31-19-8-6-17-29(31)34)27-15-4-3-13-26(27)33-25(14-10-20-32(33)35)24-12-9-11-23(21-24)22-36/h3-21H,1-2H3
InChIKeyAGZBHKDWZJRSRV-UHFFFAOYSA-N
MW459.59 g/mol
LogP8.23
Rot. Bonds1

About 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile

3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile (PubChem CID 146495516) has the molecular formula C35H25N and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile.

Molecular Properties

Compound Name3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile
PubChem CID146495516
Molecular FormulaC35H25N
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC Name3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(C#N)c4)cccc32)c2ccccc21
InChIInChI=1S/C35H25N/c1-34(2)28-16-5-7-18-30(28)35(31-19-8-6-17-29(31)34)27-15-4-3-13-26(27)33-25(14-10-20-32(33)35)24-12-9-11-23(21-24)22-36/h3-21H,1-2H3
InChIKeyAGZBHKDWZJRSRV-UHFFFAOYSA-N
XLogP8.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]benzonitrile
CID 166995915
3-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-1,2-dihydropyridin-4-yl]benzonitrile
CID 142504387
3-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-6-phenylpyrimidin-4-yl]benzonitrile;3-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-6-phenylpyrimidin-4-yl]benzonitrile;3-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenylpyrimidin-4-yl]benzonitrile;3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 161251702
3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 153302526
3-[4-[10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]phenyl]benzonitrile
CID 167178488
4-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenylpyrimidin-2-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-2-phenylpyrimidin-4-yl]benzonitrile;4-[6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 158050796
3-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile
CID 153302675
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
3-[3-[4-[2-(10,10-dimethylspiro[anthracene-9,9'-fluorene]-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]benzonitrile
CID 166995533
ethenamine;3-(4-phenylanilino)benzonitrile;4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504518
7-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 152784845
3-aminobenzonitrile;(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-phenylmethanamine
CID 142504419

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile?
The IUPAC name of 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile (CID 146495516) is 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile.
What is the SMILES notation for 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile?
The canonical SMILES for 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(C#N)c4)cccc32)c2ccccc21.
What is the InChIKey of 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile?
The InChIKey is AGZBHKDWZJRSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N/c1-34(2)28-16-5-7-18-30(28)35(31-19-8-6-17-29(31)34)27-15-4-3-13-26(27)33-25(14-10-20-32(33)35)24-12-9-11-23(21-24)22-36/h3-21H,1-2H3.
What are the key properties of 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile?
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile has a molecular weight of 459.59 g/mol, XLogP of 8.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile is sourced from PubChem (CID 146495516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).