12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

C52H30O2 — CID 88568808

IUPAC12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C52H30O2/c1-2-14-32-29-33(26-25-31(32)13-1)48-38-19-5-7-21-40(38)49(41-22-8-6-20-39(41)48)42-27-28-43(35-16-4-3-15-34(35)42)50-51-44(36-17-9-11-23-46(36)53-51)30-45-37-18-10-12-24-47(37)54-52(45)50/h1-30H
InChIKeyNTOITXZZTLLIPO-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 88568808) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID88568808
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C52H30O2/c1-2-14-32-29-33(26-25-31(32)13-1)48-38-19-5-7-21-40(38)49(41-22-8-6-20-39(41)48)42-27-28-43(35-16-4-3-15-34(35)42)50-51-44(36-17-9-11-23-46(36)53-51)30-45-37-18-10-12-24-47(37)54-52(45)50/h1-30H
InChIKeyNTOITXZZTLLIPO-UHFFFAOYSA-N
XLogP15.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene 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

12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 134487879
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 88568889
11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122425864
6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568966
9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130185432
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 122425870
4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 59413106
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
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 163656453
6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 163549748
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
6-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568957

Frequently Asked Questions

What is the IUPAC name of 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 88568808) is 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is NTOITXZZTLLIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-2-14-32-29-33(26-25-31(32)13-1)48-38-19-5-7-21-40(38)49(41-22-8-6-20-39(41)48)42-27-28-43(35-16-4-3-15-34(35)42)50-51-44(36-17-9-11-23-46(36)53-51)30-45-37-18-10-12-24-47(37)54-52(45)50/h1-30H.
What are the key properties of 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 686.81 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 88568808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).