6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene

C52H34O — CID 90065874

IUPAC6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
SMILESC1=Cc2ccc(-c3ccc4cc(-c5cc(-c6ccccc6)c6c(c5)-c5cccc7c5c(c(-c5ccccc5)c5ccccc57)O6)ccc4c3)cc2CC1
InChIInChI=1S/C52H34O/c1-3-13-34(14-4-1)47-31-42(41-27-26-39-29-38(24-25-40(39)30-41)37-23-22-33-12-7-8-17-36(33)28-37)32-48-46-21-11-20-45-43-18-9-10-19-44(43)49(35-15-5-2-6-16-35)52(50(45)46)53-51(47)48/h1-7,9-16,18-32H,8,17H2
InChIKeyKLPZEHVLBDKPHA-UHFFFAOYSA-N
MW674.84 g/mol
LogP14.55
Rot. Bonds4

About 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene

6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene (PubChem CID 90065874) has the molecular formula C52H34O and a molecular weight of 674.84 g/mol. Its IUPAC name is 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene.

Molecular Properties

Compound Name6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
PubChem CID90065874
Molecular FormulaC52H34O
Molecular Weight674.84 g/mol
Exact Mass674.26
IUPAC Name6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
SMILESC1=Cc2ccc(-c3ccc4cc(-c5cc(-c6ccccc6)c6c(c5)-c5cccc7c5c(c(-c5ccccc5)c5ccccc57)O6)ccc4c3)cc2CC1
InChIInChI=1S/C52H34O/c1-3-13-34(14-4-1)47-31-42(41-27-26-39-29-38(24-25-40(39)30-41)37-23-22-33-12-7-8-17-36(33)28-37)32-48-46-21-11-20-45-43-18-9-10-19-44(43)49(35-15-5-2-6-16-35)52(50(45)46)53-51(47)48/h1-7,9-16,18-32H,8,17H2
InChIKeyKLPZEHVLBDKPHA-UHFFFAOYSA-N
XLogP14.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.84
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 88564469
9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143300944
20-(6-triphenylen-2-ylnaphthalen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 90336882
18-[4-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 123927159
8-(7,8-dihydronaphthalen-2-yl)-16-naphthalen-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71058981
1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran
CID 155203898
2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
CID 70959813
2-(7,8-dihydronaphthalen-2-yl)-4-(3-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170219053
2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 145436557
2-dibenzofuran-1-yl-4-[6-(5,6-dihydronaphthalen-2-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 170129630
9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159025961

Frequently Asked Questions

What is the IUPAC name of 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene?
The IUPAC name of 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene (CID 90065874) is 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene.
What is the SMILES notation for 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene?
The canonical SMILES for 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene is C1=Cc2ccc(-c3ccc4cc(-c5cc(-c6ccccc6)c6c(c5)-c5cccc7c5c(c(-c5ccccc5)c5ccccc57)O6)ccc4c3)cc2CC1.
What is the InChIKey of 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene?
The InChIKey is KLPZEHVLBDKPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O/c1-3-13-34(14-4-1)47-31-42(41-27-26-39-29-38(24-25-40(39)30-41)37-23-22-33-12-7-8-17-36(33)28-37)32-48-46-21-11-20-45-43-18-9-10-19-44(43)49(35-15-5-2-6-16-35)52(50(45)46)53-51(47)48/h1-7,9-16,18-32H,8,17H2.
What are the key properties of 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene?
6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene has a molecular weight of 674.84 g/mol, XLogP of 14.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]-4,20-diphenyl-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene is sourced from PubChem (CID 90065874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).