14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene

C47H30O — CID 144703600

IUPAC14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene
SMILESC1=CC2=Cc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccc8ccccc8c7)ccc56)cc4c3C=CC2C=C1
InChIInChI=1S/C47H30O/c1-2-12-32(13-3-1)46-39-16-8-9-17-40(39)47(41-24-21-36(27-43(41)46)35-19-18-30-10-4-6-14-33(30)26-35)37-22-25-44-42(28-37)38-23-20-31-11-5-7-15-34(31)29-45(38)48-44/h1-29,31H
InChIKeyBZVQNOSKAOYUDY-UHFFFAOYSA-N
MW610.76 g/mol
LogP13.05
Rot. Bonds3

About 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene

14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene (PubChem CID 144703600) has the molecular formula C47H30O and a molecular weight of 610.76 g/mol. Its IUPAC name is 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene.

Molecular Properties

Compound Name14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene
PubChem CID144703600
Molecular FormulaC47H30O
Molecular Weight610.76 g/mol
Exact Mass610.23
IUPAC Name14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene
SMILESC1=CC2=Cc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccc8ccccc8c7)ccc56)cc4c3C=CC2C=C1
InChIInChI=1S/C47H30O/c1-2-12-32(13-3-1)46-39-16-8-9-17-40(39)47(41-24-21-36(27-43(41)46)35-19-18-30-10-4-6-14-33(30)26-35)37-22-25-44-42(28-37)38-23-20-31-11-5-7-15-34(31)29-45(38)48-44/h1-29,31H
InChIKeyBZVQNOSKAOYUDY-UHFFFAOYSA-N
XLogP13.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene with MolForge

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Related Compounds

10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran
CID 174307066
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354

Frequently Asked Questions

What is the IUPAC name of 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene?
The IUPAC name of 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene (CID 144703600) is 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene.
What is the SMILES notation for 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene?
The canonical SMILES for 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene is C1=CC2=Cc3oc4ccc(-c5c6ccccc6c(-c6ccccc6)c6cc(-c7ccc8ccccc8c7)ccc56)cc4c3C=CC2C=C1.
What is the InChIKey of 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene?
The InChIKey is BZVQNOSKAOYUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O/c1-2-12-32(13-3-1)46-39-16-8-9-17-40(39)47(41-24-21-36(27-43(41)46)35-19-18-30-10-4-6-14-33(30)26-35)37-22-25-44-42(28-37)38-23-20-31-11-5-7-15-34(31)29-45(38)48-44/h1-29,31H.
What are the key properties of 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene?
14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene has a molecular weight of 610.76 g/mol, XLogP of 13.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene is sourced from PubChem (CID 144703600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).