5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene

C58H34O — CID 130188759

IUPAC5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7cc8ccccc8cc7oc65)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C58H34O/c1-2-14-36-31-40(26-25-35(36)13-1)55-46-21-9-11-23-48(46)56(49-24-12-10-22-47(49)55)50-30-29-41(42-17-5-6-18-43(42)50)39-27-28-51-52(33-39)44-19-7-8-20-45(44)57-53-32-37-15-3-4-16-38(37)34-54(53)59-58(51)57/h1-34H
InChIKeySTWVKMQEZBCIRT-UHFFFAOYSA-N
MW746.91 g/mol
LogP16.66
Rot. Bonds3

About 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene

5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene (PubChem CID 130188759) has the molecular formula C58H34O and a molecular weight of 746.91 g/mol. Its IUPAC name is 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
PubChem CID130188759
Molecular FormulaC58H34O
Molecular Weight746.91 g/mol
Exact Mass746.26
IUPAC Name5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7cc8ccccc8cc7oc65)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C58H34O/c1-2-14-36-31-40(26-25-35(36)13-1)55-46-21-9-11-23-48(46)56(49-24-12-10-22-47(49)55)50-30-29-41(42-17-5-6-18-43(42)50)39-27-28-51-52(33-39)44-19-7-8-20-45(44)57-53-32-37-15-3-4-16-38(37)34-54(53)59-58(51)57/h1-34H
InChIKeySTWVKMQEZBCIRT-UHFFFAOYSA-N
XLogP16.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 516.66
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 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene with MolForge

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Related Compounds

19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185465
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-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;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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;22-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 158132929
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
2-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 90433498
17-(10-dibenzofuran-4-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;17-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;17-(10-triphenylen-2-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 159474984
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426934
4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
CID 130188810
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
9-[6-[10-(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)anthracen-9-yl]naphthalen-2-yl]-18-(10-phenanthren-9-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 134420454
6-(10-naphthalen-2-ylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163952307
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
4-[21-(10-naphtho[2,3-b][1]benzofuran-1-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-1-(10-triphenylen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 167079069

Frequently Asked Questions

What is the IUPAC name of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The IUPAC name of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene (CID 130188759) is 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene.
What is the SMILES notation for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The canonical SMILES for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7cc8ccccc8cc7oc65)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The InChIKey is STWVKMQEZBCIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O/c1-2-14-36-31-40(26-25-35(36)13-1)55-46-21-9-11-23-48(46)56(49-24-12-10-22-47(49)55)50-30-29-41(42-17-5-6-18-43(42)50)39-27-28-51-52(33-39)44-19-7-8-20-45(44)57-53-32-37-15-3-4-16-38(37)34-54(53)59-58(51)57/h1-34H.
What are the key properties of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene has a molecular weight of 746.91 g/mol, XLogP of 16.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene is sourced from PubChem (CID 130188759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).