9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene

C60H34O2 — CID 59147732

IUPAC9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene
SMILESc1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c3ccc4oc5c(-c6ccccc6)c6ccc(-c7cccc8ccccc78)cc6c6ccc7oc2c3c4-c7c56)cc1
InChIInChI=1S/C60H34O2/c1-3-15-37(16-4-1)53-45-27-25-39(43-23-11-19-35-13-7-9-21-41(35)43)33-49(45)47-29-32-52-57-55(47)59(53)61-51-31-30-48-50-34-40(44-24-12-20-36-14-8-10-22-42(36)44)26-28-46(50)54(38-17-5-2-6-18-38)60(62-52)56(48)58(51)57/h1-34H
InChIKeyFBOJNCZZVABWAK-UHFFFAOYSA-N
MW786.93 g/mol
LogP17.31
Rot. Bonds4

About 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene

9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene (PubChem CID 59147732) has the molecular formula C60H34O2 and a molecular weight of 786.93 g/mol. Its IUPAC name is 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene.

Molecular Properties

Compound Name9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene
PubChem CID59147732
Molecular FormulaC60H34O2
Molecular Weight786.93 g/mol
Exact Mass786.26
IUPAC Name9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene
SMILESc1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c3ccc4oc5c(-c6ccccc6)c6ccc(-c7cccc8ccccc78)cc6c6ccc7oc2c3c4-c7c56)cc1
InChIInChI=1S/C60H34O2/c1-3-15-37(16-4-1)53-45-27-25-39(43-23-11-19-35-13-7-9-21-41(35)43)33-49(45)47-29-32-52-57-55(47)59(53)61-51-31-30-48-50-34-40(44-24-12-20-36-14-8-10-22-42(36)44)26-28-46(50)54(38-17-5-2-6-18-38)60(62-52)56(48)58(51)57/h1-34H
InChIKeyFBOJNCZZVABWAK-UHFFFAOYSA-N
XLogP17.31
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.93
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene with MolForge

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Related Compounds

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2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
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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
5,18-dinaphthalen-1-yl-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 118933534
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
2-naphthalen-1-yl-6-(2,3,6-trideuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 162423630
20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 130212360
8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
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10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
26-(10-naphthalen-1-ylanthracen-9-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
CID 154600211
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CID 168795775

Frequently Asked Questions

What is the IUPAC name of 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene?
The IUPAC name of 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene (CID 59147732) is 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene.
What is the SMILES notation for 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene?
The canonical SMILES for 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene is c1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c3ccc4oc5c(-c6ccccc6)c6ccc(-c7cccc8ccccc78)cc6c6ccc7oc2c3c4-c7c56)cc1.
What is the InChIKey of 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene?
The InChIKey is FBOJNCZZVABWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34O2/c1-3-15-37(16-4-1)53-45-27-25-39(43-23-11-19-35-13-7-9-21-41(35)43)33-49(45)47-29-32-52-57-55(47)59(53)61-51-31-30-48-50-34-40(44-24-12-20-36-14-8-10-22-42(36)44)26-28-46(50)54(38-17-5-2-6-18-38)60(62-52)56(48)58(51)57/h1-34H.
What are the key properties of 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene?
9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene has a molecular weight of 786.93 g/mol, XLogP of 17.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,22-dinaphthalen-1-yl-5,18-diphenyl-16,30-dioxaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3,5,7,9,11,13,17(29),18,20,22,24,26-tetradecaene is sourced from PubChem (CID 59147732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).