4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

C52H30O2 — CID 130185356

IUPAC4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5c6cc7oc8ccccc8c7cc6oc5c5ccccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H30O2/c1-2-14-31(15-3-1)50-37-20-7-9-22-39(37)51(40-23-10-8-21-38(40)50)41-27-26-35(32-16-4-5-17-33(32)41)43-28-46-45-30-48-44(36-19-12-13-25-47(36)53-48)29-49(45)54-52(46)42-24-11-6-18-34(42)43/h1-30H
InChIKeyNUWFQHCPLJXYMF-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (PubChem CID 130185356) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
PubChem CID130185356
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5c6cc7oc8ccccc8c7cc6oc5c5ccccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H30O2/c1-2-14-31(15-3-1)50-37-20-7-9-22-39(37)51(40-23-10-8-21-38(40)50)41-27-26-35(32-16-4-5-17-33(32)41)43-28-46-45-30-48-44(36-19-12-13-25-47(36)53-48)29-49(45)54-52(46)42-24-11-6-18-34(42)43/h1-30H
InChIKeyNUWFQHCPLJXYMF-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 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene with MolForge

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Related Compounds

16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185420
9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185389
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
11-(10-phenylanthracen-9-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130212291
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415794
16-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185277
8-[10-(2,6-diphenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 171447445
7-[4-(10-phenylanthracen-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 130212470
4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
CID 176744276
4-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745684
2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran
CID 139397243

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The IUPAC name of 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (CID 130185356) is 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.
What is the SMILES notation for 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The canonical SMILES for 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5c6cc7oc8ccccc8c7cc6oc5c5ccccc45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The InChIKey is NUWFQHCPLJXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-2-14-31(15-3-1)50-37-20-7-9-22-39(37)51(40-23-10-8-21-38(40)50)41-27-26-35(32-16-4-5-17-33(32)41)43-28-46-45-30-48-44(36-19-12-13-25-47(36)53-48)29-49(45)54-52(46)42-24-11-6-18-34(42)43/h1-30H.
What are the key properties of 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-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 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is sourced from PubChem (CID 130185356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).