9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile

C30H16N4 — CID 140942929

IUPAC9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile
SMILES[C-]#[N+]c1cc2c(cc1-c1ccccc1)-c1cc(-c3ccccc3)c(C#N)cc1C2C(C#N)[N+]#[C-]
InChIInChI=1S/C30H16N4/c1-33-28-16-27-25(15-23(28)20-11-7-4-8-12-20)24-14-22(19-9-5-3-6-10-19)21(17-31)13-26(24)30(27)29(18-32)34-2/h3-16,29-30H
InChIKeyICHYNITUONRLGN-UHFFFAOYSA-N
MW432.49 g/mol
LogP7.37
Rot. Bonds3

About 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile

9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile (PubChem CID 140942929) has the molecular formula C30H16N4 and a molecular weight of 432.49 g/mol. Its IUPAC name is 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile.

Molecular Properties

Compound Name9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile
PubChem CID140942929
Molecular FormulaC30H16N4
Molecular Weight432.49 g/mol
Exact Mass432.14
IUPAC Name9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile
SMILES[C-]#[N+]c1cc2c(cc1-c1ccccc1)-c1cc(-c3ccccc3)c(C#N)cc1C2C(C#N)[N+]#[C-]
InChIInChI=1S/C30H16N4/c1-33-28-16-27-25(15-23(28)20-11-7-4-8-12-20)24-14-22(19-9-5-3-6-10-19)21(17-31)13-26(24)30(27)29(18-32)34-2/h3-16,29-30H
InChIKeyICHYNITUONRLGN-UHFFFAOYSA-N
XLogP7.37
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile
CID 166814043
4-[bis(4-cyano-3-phenylphenyl)-(4-isocyano-3-phenylphenyl)methyl]-2-phenylbenzonitrile
CID 58954366
(2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide
CID 140942890
4-isocyano-5-(5-methyl-4-phenyl-2-pyridinyl)benzene-1,2-dicarbonitrile
CID 168821657
5-(2,6-diphenylphenyl)-2-fluoro-3-isocyanobenzonitrile
CID 140701586
2,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-isocyanobenzonitrile
CID 140728568
4-isocyano-5-(4-methyl-5-phenyl-2-pyridinyl)benzene-1,2-dicarbonitrile
CID 168821648
5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-isocyanobenzonitrile
CID 140779438
4-carbazol-9-yl-5-isocyano-2-(4-triphenylsilylphenyl)benzonitrile
CID 153318409
3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile
CID 168822050
2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile
CID 168821775
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
CID 100933714

Frequently Asked Questions

What is the IUPAC name of 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile?
The IUPAC name of 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile (CID 140942929) is 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile.
What is the SMILES notation for 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile?
The canonical SMILES for 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile is [C-]#[N+]c1cc2c(cc1-c1ccccc1)-c1cc(-c3ccccc3)c(C#N)cc1C2C(C#N)[N+]#[C-].
What is the InChIKey of 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile?
The InChIKey is ICHYNITUONRLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4/c1-33-28-16-27-25(15-23(28)20-11-7-4-8-12-20)24-14-22(19-9-5-3-6-10-19)21(17-31)13-26(24)30(27)29(18-32)34-2/h3-16,29-30H.
What are the key properties of 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile?
9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile has a molecular weight of 432.49 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile is sourced from PubChem (CID 140942929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).