1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran

C32H19ClO — CID 174263586

IUPAC1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran
SMILESClc1c(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2)ccc2oc3ccccc3c12
InChIInChI=1S/C32H19ClO/c33-32-25(18-19-30-31(32)28-8-3-4-11-29(28)34-30)22-14-12-21(13-15-22)24-9-5-10-26-23-7-2-1-6-20(23)16-17-27(24)26/h1-19H
InChIKeyRNAXHWADBIXIPA-UHFFFAOYSA-N
MW454.96 g/mol
LogP9.88
Rot. Bonds2

About 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran

1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran (PubChem CID 174263586) has the molecular formula C32H19ClO and a molecular weight of 454.96 g/mol. Its IUPAC name is 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran
PubChem CID174263586
Molecular FormulaC32H19ClO
Molecular Weight454.96 g/mol
Exact Mass454.11
IUPAC Name1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran
SMILESClc1c(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2)ccc2oc3ccccc3c12
InChIInChI=1S/C32H19ClO/c33-32-25(18-19-30-31(32)28-8-3-4-11-29(28)34-30)22-14-12-21(13-15-22)24-9-5-10-26-23-7-2-1-6-20(23)16-17-27(24)26/h1-19H
InChIKeyRNAXHWADBIXIPA-UHFFFAOYSA-N
XLogP9.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran
CID 174263469
2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran
CID 174263582
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810406
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810259
N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810507
7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene
CID 118145556
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
CID 176810443
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran?
The IUPAC name of 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran (CID 174263586) is 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran.
What is the SMILES notation for 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran?
The canonical SMILES for 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran is Clc1c(-c2ccc(-c3cccc4c3ccc3ccccc34)cc2)ccc2oc3ccccc3c12.
What is the InChIKey of 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran?
The InChIKey is RNAXHWADBIXIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19ClO/c33-32-25(18-19-30-31(32)28-8-3-4-11-29(28)34-30)22-14-12-21(13-15-22)24-9-5-10-26-23-7-2-1-6-20(23)16-17-27(24)26/h1-19H.
What are the key properties of 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran?
1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran has a molecular weight of 454.96 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-phenanthren-1-ylphenyl)dibenzofuran is sourced from PubChem (CID 174263586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).