6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene

C50H28O2 — CID 162712329

IUPAC6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4ccc(-c5cc6cccc7oc8cccc5c8c67)c5ccccc45)c4ccccc34)c12
InChIInChI=1S/C50H28O2/c1-2-14-31-30(13-1)32(41-28-29-12-9-23-43-46(29)50-37(41)20-10-25-45(50)52-43)26-27-38(31)47-33-15-3-5-17-35(33)48(36-18-6-4-16-34(36)47)40-21-11-24-44-49(40)39-19-7-8-22-42(39)51-44/h1-28H
InChIKeyNVEAHDRCEOPIJQ-UHFFFAOYSA-N
MW660.77 g/mol
LogP14.54
Rot. Bonds3

About 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene

6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 162712329) has the molecular formula C50H28O2 and a molecular weight of 660.77 g/mol. Its IUPAC name is 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
PubChem CID162712329
Molecular FormulaC50H28O2
Molecular Weight660.77 g/mol
Exact Mass660.21
IUPAC Name6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4ccc(-c5cc6cccc7oc8cccc5c8c67)c5ccccc45)c4ccccc34)c12
InChIInChI=1S/C50H28O2/c1-2-14-31-30(13-1)32(41-28-29-12-9-23-43-46(29)50-37(41)20-10-25-45(50)52-43)26-27-38(31)47-33-15-3-5-17-35(33)48(36-18-6-4-16-34(36)47)40-21-11-24-44-49(40)39-19-7-8-22-42(39)51-44/h1-28H
InChIKeyNVEAHDRCEOPIJQ-UHFFFAOYSA-N
XLogP14.54
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.77
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[10-(2-pyren-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454341
4-(10-phenanthren-4-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265069
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
11-(10-dibenzofuran-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166897090
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
6-[10-[3-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712240
6-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712320
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
4-(10-naphthalen-2-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177264880
1-[4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 177265153
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
6-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712180

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene (CID 162712329) is 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene is c1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4ccc(-c5cc6cccc7oc8cccc5c8c67)c5ccccc45)c4ccccc34)c12.
What is the InChIKey of 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is NVEAHDRCEOPIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28O2/c1-2-14-31-30(13-1)32(41-28-29-12-9-23-43-46(29)50-37(41)20-10-25-45(50)52-43)26-27-38(31)47-33-15-3-5-17-35(33)48(36-18-6-4-16-34(36)47)40-21-11-24-44-49(40)39-19-7-8-22-42(39)51-44/h1-28H.
What are the key properties of 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?
6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 660.77 g/mol, XLogP of 14.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 162712329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).