6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

C48H28O2 — CID 122426855

IUPAC6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESc1cc(-c2ccc3c(c2)oc2c3ccc3c4ccccc4oc32)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C48H28O2/c1-2-11-30-26-34(21-20-29(30)10-1)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)33-13-9-12-31(27-33)32-22-23-36-42-25-24-41-35-14-7-8-19-43(35)49-47(41)48(42)50-44(36)28-32/h1-28H
InChIKeyHQLIRGPEDZBONG-UHFFFAOYSA-N
MW636.75 g/mol
LogP13.95
Rot. Bonds3

About 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (PubChem CID 122426855) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
PubChem CID122426855
Molecular FormulaC48H28O2
Molecular Weight636.75 g/mol
Exact Mass636.21
IUPAC Name6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESc1cc(-c2ccc3c(c2)oc2c3ccc3c4ccccc4oc32)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C48H28O2/c1-2-11-30-26-34(21-20-29(30)10-1)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)33-13-9-12-31(27-33)32-22-23-36-42-25-24-41-35-14-7-8-19-43(35)49-47(41)48(42)50-44(36)28-32/h1-28H
InChIKeyHQLIRGPEDZBONG-UHFFFAOYSA-N
XLogP13.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426775
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568836
7-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568845
9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568993
9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158942554
10-[10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
CID 153472139
16-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122415748
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185542
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
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760

Frequently Asked Questions

What is the IUPAC name of 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (CID 122426855) is 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is c1cc(-c2ccc3c(c2)oc2c3ccc3c4ccccc4oc32)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The InChIKey is HQLIRGPEDZBONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-11-30-26-34(21-20-29(30)10-1)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)33-13-9-12-31(27-33)32-22-23-36-42-25-24-41-35-14-7-8-19-43(35)49-47(41)48(42)50-44(36)28-32/h1-28H.
What are the key properties of 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 122426855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).