11-(2-naphthalen-2-yl-10-phenylanthracen-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

C52H30O2 — CID 164818022

IUPAC11-(2-naphthalen-2-yl-10-phenylanthracen-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
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccc5oc6ccccc6c5c4c4c3oc3ccccc34)c3cc(-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C52H30O2/c1-2-13-32(14-3-1)47-37-16-6-7-17-38(37)49(42-29-35(24-26-39(42)47)34-23-22-31-12-4-5-15-33(31)28-34)43-30-36-25-27-46-50(40-18-8-10-20-44(40)53-46)48(36)51-41-19-9-11-21-45(41)54-52(43)51/h1-30H
InChIKeyCCIFRYLPIGNRTQ-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 11-(2-naphthalen-2-yl-10-phenylanthracen-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

11-(2-naphthalen-2-yl-10-phenylanthracen-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 (PubChem CID 164818022) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 11-(2-naphthalen-2-yl-10-phenylanthracen-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.

Molecular Properties

Compound Name11-(2-naphthalen-2-yl-10-phenylanthracen-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
PubChem CID164818022
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name11-(2-naphthalen-2-yl-10-phenylanthracen-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
SMILESc1ccc(-c2c3ccccc3c(-c3cc4ccc5oc6ccccc6c5c4c4c3oc3ccccc34)c3cc(-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C52H30O2/c1-2-13-32(14-3-1)47-37-16-6-7-17-38(37)49(42-29-35(24-26-39(42)47)34-23-22-31-12-4-5-15-33(31)28-34)43-30-36-25-27-46-50(40-18-8-10-20-44(40)53-46)48(36)51-41-19-9-11-21-45(41)54-52(43)51/h1-30H
InChIKeyCCIFRYLPIGNRTQ-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 11-(2-naphthalen-2-yl-10-phenylanthracen-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 with MolForge

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Related Compounds

1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 130213583
11-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 147676477
6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 130213574
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427327
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
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-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159916056
2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176745941
11-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 88568745
5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190186
5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran
CID 160537102

Frequently Asked Questions

What is the IUPAC name of 11-(2-naphthalen-2-yl-10-phenylanthracen-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?
The IUPAC name of 11-(2-naphthalen-2-yl-10-phenylanthracen-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 164818022) is 11-(2-naphthalen-2-yl-10-phenylanthracen-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.
What is the SMILES notation for 11-(2-naphthalen-2-yl-10-phenylanthracen-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?
The canonical SMILES for 11-(2-naphthalen-2-yl-10-phenylanthracen-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 is c1ccc(-c2c3ccccc3c(-c3cc4ccc5oc6ccccc6c5c4c4c3oc3ccccc34)c3cc(-c4ccc5ccccc5c4)ccc23)cc1.
What is the InChIKey of 11-(2-naphthalen-2-yl-10-phenylanthracen-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?
The InChIKey is CCIFRYLPIGNRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-2-13-32(14-3-1)47-37-16-6-7-17-38(37)49(42-29-35(24-26-39(42)47)34-23-22-31-12-4-5-15-33(31)28-34)43-30-36-25-27-46-50(40-18-8-10-20-44(40)53-46)48(36)51-41-19-9-11-21-45(41)54-52(43)51/h1-30H.
What are the key properties of 11-(2-naphthalen-2-yl-10-phenylanthracen-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?
11-(2-naphthalen-2-yl-10-phenylanthracen-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 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 11-(2-naphthalen-2-yl-10-phenylanthracen-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 is sourced from PubChem (CID 164818022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).