4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium

C18H16NO+ — CID 143200260

IUPAC4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium
SMILESC=C1CCC[n+]2c1oc1ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H16NO/c1-13-6-5-11-19-16-12-15(14-7-3-2-4-8-14)9-10-17(16)20-18(13)19/h2-4,7-10,12H,1,5-6,11H2/q+1
InChIKeyZWIVRHRCKFZDJS-UHFFFAOYSA-N
MW262.33 g/mol
LogP4.19
Rot. Bonds1

About 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium

4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium (PubChem CID 143200260) has the molecular formula C18H16NO+ and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium.

Molecular Properties

Compound Name4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium
PubChem CID143200260
Molecular FormulaC18H16NO+
Molecular Weight262.33 g/mol
Exact Mass262.12
IUPAC Name4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium
SMILESC=C1CCC[n+]2c1oc1ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H16NO/c1-13-6-5-11-19-16-12-15(14-7-3-2-4-8-14)9-10-17(16)20-18(13)19/h2-4,7-10,12H,1,5-6,11H2/q+1
InChIKeyZWIVRHRCKFZDJS-UHFFFAOYSA-N
XLogP4.19
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
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2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776
2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 162785544
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium?
The IUPAC name of 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium (CID 143200260) is 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium.
What is the SMILES notation for 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium?
The canonical SMILES for 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium is C=C1CCC[n+]2c1oc1ccc(-c3ccccc3)cc12.
What is the InChIKey of 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium?
The InChIKey is ZWIVRHRCKFZDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO/c1-13-6-5-11-19-16-12-15(14-7-3-2-4-8-14)9-10-17(16)20-18(13)19/h2-4,7-10,12H,1,5-6,11H2/q+1.
What are the key properties of 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium?
4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium has a molecular weight of 262.33 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-8-phenyl-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium is sourced from PubChem (CID 143200260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).