20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene

C54H32O — CID 130188724

IUPAC20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(ccc7c6oc6c8ccccc8c8ccccc8c76)c5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C54H32O/c1-2-12-33(13-3-1)50-44-17-7-9-19-46(44)51(47-20-10-8-18-45(47)50)39-25-24-35-30-34(22-23-36(35)32-39)37-26-28-40-38(31-37)27-29-49-52-43-16-6-4-14-41(43)42-15-5-11-21-48(42)54(52)55-53(40)49/h1-32H
InChIKeyNVSPMTRIFWTPDE-UHFFFAOYSA-N
MW696.85 g/mol
LogP15.51
Rot. Bonds3

About 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene

20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene (PubChem CID 130188724) has the molecular formula C54H32O and a molecular weight of 696.85 g/mol. Its IUPAC name is 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene.

Molecular Properties

Compound Name20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
PubChem CID130188724
Molecular FormulaC54H32O
Molecular Weight696.85 g/mol
Exact Mass696.25
IUPAC Name20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(ccc7c6oc6c8ccccc8c8ccccc8c76)c5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C54H32O/c1-2-12-33(13-3-1)50-44-17-7-9-19-46(44)51(47-20-10-8-18-45(47)50)39-25-24-35-30-34(22-23-36(35)32-39)37-26-28-40-38(31-37)27-29-49-52-43-16-6-4-14-41(43)42-15-5-11-21-48(42)54(52)55-53(40)49/h1-32H
InChIKeyNVSPMTRIFWTPDE-UHFFFAOYSA-N
XLogP15.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene 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

21-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 130188687
4-[6-[3-[10-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-2-yl]-18-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 135218995
20-[4-(10-phenylanthracen-9-yl)phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188605
6-(10-naphthalen-2-ylanthracen-9-yl)-21-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182812
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 130188697
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130190112
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
19-[6-(10-phenylanthracen-9-yl)naphthalen-2-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(21),17,19,23-undecaene
CID 130190242
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185583
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
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571

Frequently Asked Questions

What is the IUPAC name of 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene?
The IUPAC name of 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene (CID 130188724) is 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene.
What is the SMILES notation for 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene?
The canonical SMILES for 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(ccc7c6oc6c8ccccc8c8ccccc8c76)c5)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene?
The InChIKey is NVSPMTRIFWTPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O/c1-2-12-33(13-3-1)50-44-17-7-9-19-46(44)51(47-20-10-8-18-45(47)50)39-25-24-35-30-34(22-23-36(35)32-39)37-26-28-40-38(31-37)27-29-49-52-43-16-6-4-14-41(43)42-15-5-11-21-48(42)54(52)55-53(40)49/h1-32H.
What are the key properties of 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene?
20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene has a molecular weight of 696.85 g/mol, XLogP of 15.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene is sourced from PubChem (CID 130188724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).