19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene

C48H28O — CID 153472141

IUPAC19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7c7ccccc7c6c45)c4ccccc34)ccc2c1
InChIInChI=1S/C48H28O/c1-2-12-30-27-31(22-21-29(30)11-1)45-37-17-7-9-19-39(37)46(40-20-10-8-18-38(40)45)32-23-24-42-44(28-32)49-43-26-25-41-35-15-4-3-13-33(35)34-14-5-6-16-36(34)47(41)48(42)43/h1-28H
InChIKeyNJNGUECXHOKATN-UHFFFAOYSA-N
MW620.75 g/mol
LogP13.84
Rot. Bonds2

About 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene

19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene (PubChem CID 153472141) has the molecular formula C48H28O and a molecular weight of 620.75 g/mol. Its IUPAC name is 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene.

Molecular Properties

Compound Name19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene
PubChem CID153472141
Molecular FormulaC48H28O
Molecular Weight620.75 g/mol
Exact Mass620.21
IUPAC Name19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7c7ccccc7c6c45)c4ccccc34)ccc2c1
InChIInChI=1S/C48H28O/c1-2-12-30-27-31(22-21-29(30)11-1)45-37-17-7-9-19-39(37)46(40-20-10-8-18-38(40)45)32-23-24-42-44(28-32)49-43-26-25-41-35-15-4-3-13-33(35)34-14-5-6-16-36(34)47(41)48(42)43/h1-28H
InChIKeyNJNGUECXHOKATN-UHFFFAOYSA-N
XLogP13.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
6-(10-naphthalen-2-ylanthracen-9-yl)-21-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182812
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809
6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 130213574
9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188657
6-(10-naphthalen-2-ylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163952307
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-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-nonaene
CID 122427327
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
5-[10-(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-6-yl)anthracen-9-yl]-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-nonaene;6-[10-(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-6-yl)anthracen-9-yl]-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-nonaene
CID 159714513
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
CID 88569060

Frequently Asked Questions

What is the IUPAC name of 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene?
The IUPAC name of 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene (CID 153472141) is 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene.
What is the SMILES notation for 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene?
The canonical SMILES for 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6c7ccccc7c7ccccc7c6c45)c4ccccc34)ccc2c1.
What is the InChIKey of 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene?
The InChIKey is NJNGUECXHOKATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O/c1-2-12-30-27-31(22-21-29(30)11-1)45-37-17-7-9-19-39(37)46(40-20-10-8-18-38(40)45)32-23-24-42-44(28-32)49-43-26-25-41-35-15-4-3-13-33(35)34-14-5-6-16-36(34)47(41)48(42)43/h1-28H.
What are the key properties of 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene?
19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene has a molecular weight of 620.75 g/mol, XLogP of 13.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene is sourced from PubChem (CID 153472141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).