20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene

C49H32O2 — CID 174288301

IUPAC20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene
SMILESCC12C=C(c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)C=CC1Oc1ccc3oc4ccccc4c3c12
InChIInChI=1S/C49H32O2/c1-49-29-33(24-27-44(49)51-43-26-25-42-47(48(43)49)40-21-8-9-23-41(40)50-42)46-38-19-6-4-17-36(38)45(37-18-5-7-20-39(37)46)32-15-10-14-31(28-32)35-22-11-13-30-12-2-3-16-34(30)35/h2-29,44H,1H3
InChIKeySMTJQIKRACYORF-UHFFFAOYSA-N
MW652.79 g/mol
LogP13.05
Rot. Bonds3

About 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene

20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene (PubChem CID 174288301) has the molecular formula C49H32O2 and a molecular weight of 652.79 g/mol. Its IUPAC name is 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene.

Molecular Properties

Compound Name20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene
PubChem CID174288301
Molecular FormulaC49H32O2
Molecular Weight652.79 g/mol
Exact Mass652.24
IUPAC Name20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene
SMILESCC12C=C(c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)C=CC1Oc1ccc3oc4ccccc4c3c12
InChIInChI=1S/C49H32O2/c1-49-29-33(24-27-44(49)51-43-26-25-42-47(48(43)49)40-21-8-9-23-41(40)50-42)46-38-19-6-4-17-36(38)45(37-18-5-7-20-39(37)46)32-15-10-14-31(28-32)35-22-11-13-30-12-2-3-16-34(30)35/h2-29,44H,1H3
InChIKeySMTJQIKRACYORF-UHFFFAOYSA-N
XLogP13.05
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.79
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene with MolForge

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Related Compounds

1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 159932863
11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene
CID 164818106
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130190182
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-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 134487541
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 146652375
11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene
CID 90209334
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542

Frequently Asked Questions

What is the IUPAC name of 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene?
The IUPAC name of 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene (CID 174288301) is 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene.
What is the SMILES notation for 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene?
The canonical SMILES for 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene is CC12C=C(c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)C=CC1Oc1ccc3oc4ccccc4c3c12.
What is the InChIKey of 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene?
The InChIKey is SMTJQIKRACYORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O2/c1-49-29-33(24-27-44(49)51-43-26-25-42-47(48(43)49)40-21-8-9-23-41(40)50-42)46-38-19-6-4-17-36(38)45(37-18-5-7-20-39(37)46)32-15-10-14-31(28-32)35-22-11-13-30-12-2-3-16-34(30)35/h2-29,44H,1H3.
What are the key properties of 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene?
20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene has a molecular weight of 652.79 g/mol, XLogP of 13.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-methyl-18-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,16,18-octaene is sourced from PubChem (CID 174288301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).