4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile

C38H24N2 — CID 140910428

IUPAC4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C38H24N2/c39-25-26-21-23-27(24-22-26)29-14-10-15-31-30-13-4-5-16-32(30)38(37(29)31)33-17-6-8-19-35(33)40(28-11-2-1-3-12-28)36-20-9-7-18-34(36)38/h1-24H
InChIKeyNEVFWYQVKCZDLW-UHFFFAOYSA-N
MW508.62 g/mol
LogP9.37
Rot. Bonds2

About 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile

4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile (PubChem CID 140910428) has the molecular formula C38H24N2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile.

Molecular Properties

Compound Name4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
PubChem CID140910428
Molecular FormulaC38H24N2
Molecular Weight508.62 g/mol
Exact Mass508.19
IUPAC Name4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C38H24N2/c39-25-26-21-23-27(24-22-26)29-14-10-15-31-30-13-4-5-16-32(30)38(37(29)31)33-17-6-8-19-35(33)40(28-11-2-1-3-12-28)36-20-9-7-18-34(36)38/h1-24H
InChIKeyNEVFWYQVKCZDLW-UHFFFAOYSA-N
XLogP9.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile?
The IUPAC name of 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile (CID 140910428) is 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile.
What is the SMILES notation for 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile?
The canonical SMILES for 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile is N#Cc1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile?
The InChIKey is NEVFWYQVKCZDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2/c39-25-26-21-23-27(24-22-26)29-14-10-15-31-30-13-4-5-16-32(30)38(37(29)31)33-17-6-8-19-35(33)40(28-11-2-1-3-12-28)36-20-9-7-18-34(36)38/h1-24H.
What are the key properties of 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile?
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile has a molecular weight of 508.62 g/mol, XLogP of 9.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile is sourced from PubChem (CID 140910428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).