5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran

C23H13NO — CID 89027124

IUPAC5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran
SMILES[C-]#[N+]c1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C23H13NO/c1-24-16-12-10-15(11-13-16)20-14-22-23(18-7-3-2-6-17(18)20)19-8-4-5-9-21(19)25-22/h2-14H
InChIKeySHHGWDSNGJCWNP-UHFFFAOYSA-N
MW319.36 g/mol
LogP6.96
Rot. Bonds1

About 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran

5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran (PubChem CID 89027124) has the molecular formula C23H13NO and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran
PubChem CID89027124
Molecular FormulaC23H13NO
Molecular Weight319.36 g/mol
Exact Mass319.10
IUPAC Name5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran
SMILES[C-]#[N+]c1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C23H13NO/c1-24-16-12-10-15(11-13-16)20-14-22-23(18-7-3-2-6-17(18)20)19-8-4-5-9-21(19)25-22/h2-14H
InChIKeySHHGWDSNGJCWNP-UHFFFAOYSA-N
XLogP6.96
TPSA17.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
9-[4-(10-phenylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185275
21-[9-(4-isocyanophenyl)perylen-3-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 164721177
9-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185533
2-[5-[4-(4-isocyanophenyl)phenyl]naphtho[1,2-b][1]benzofuran-8-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 176817809
3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
CID 177459326
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301400
5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 157348273
5-[9-[3-phenyl-5-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]naphtho[2,1-b][1]benzofuran
CID 167419865
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163

Frequently Asked Questions

What is the IUPAC name of 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran (CID 89027124) is 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran is [C-]#[N+]c1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran?
The InChIKey is SHHGWDSNGJCWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO/c1-24-16-12-10-15(11-13-16)20-14-22-23(18-7-3-2-6-17(18)20)19-8-4-5-9-21(19)25-22/h2-14H.
What are the key properties of 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran?
5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran has a molecular weight of 319.36 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 89027124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).