14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C51H34O — CID 122426897

IUPAC14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc13)c1oc3ccccc3c21
InChIInChI=1S/C51H34O/c1-51(2)43-24-11-9-22-40(43)48-44(51)30-42(50-49(48)41-23-10-12-25-45(41)52-50)47-38-20-7-5-18-36(38)46(37-19-6-8-21-39(37)47)35-17-13-16-33(29-35)34-27-26-31-14-3-4-15-32(31)28-34/h3-30H,1-2H3
InChIKeyVVEBSYZZBXNQGR-UHFFFAOYSA-N
MW662.83 g/mol
LogP14.35
Rot. Bonds3

About 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 122426897) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID122426897
Molecular FormulaC51H34O
Molecular Weight662.83 g/mol
Exact Mass662.26
IUPAC Name14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc13)c1oc3ccccc3c21
InChIInChI=1S/C51H34O/c1-51(2)43-24-11-9-22-40(43)48-44(51)30-42(50-49(48)41-23-10-12-25-45(41)52-50)47-38-20-7-5-18-36(38)46(37-19-6-8-21-39(37)47)35-17-13-16-33(29-35)34-27-26-31-14-3-4-15-32(31)28-34/h3-30H,1-2H3
InChIKeyVVEBSYZZBXNQGR-UHFFFAOYSA-N
XLogP14.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.83
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

7,7-dimethyl-5-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 163434159
11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122431837
1-(10-dibenzofuran-3-ylanthracen-9-yl)-4-naphthalen-2-yldibenzofuran;7,7-dimethyl-5-(10-phenanthren-9-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 159810135
11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran
CID 176777735
2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176745941
14,14-dimethyl-12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426120
16,16-dimethyl-20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 130211999
1-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran;1-[10-(6-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 165057953
14,14-dimethyl-8-naphthalen-2-ylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 140800333
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 122415730
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 161035826

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 122426897) is 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc13)c1oc3ccccc3c21.
What is the InChIKey of 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is VVEBSYZZBXNQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-51(2)43-24-11-9-22-40(43)48-44(51)30-42(50-49(48)41-23-10-12-25-45(41)52-50)47-38-20-7-5-18-36(38)46(37-19-6-8-21-39(37)47)35-17-13-16-33(29-35)34-27-26-31-14-3-4-15-32(31)28-34/h3-30H,1-2H3.
What are the key properties of 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 662.83 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 122426897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).