7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene

C80H44 — CID 59642886

IUPAC7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
SMILESc1ccc2c(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)=c3ccc5c6ccc7c8c(ccc(c9ccc=4c3c95)c86)=c3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3=7)cccc2c1
InChIInChI=1S/C80H44/c1-5-25-49-45(17-1)21-13-33-53(49)71-57-29-9-10-30-58(57)72(54-34-14-22-46-18-2-6-26-50(46)54)78-66-42-38-62-64-40-44-68-76-67(43-39-63(70(64)76)61-37-41-65(77(71)78)75(66)69(61)62)79-73(55-35-15-23-47-19-3-7-27-51(47)55)59-31-11-12-32-60(59)74(80(68)79)56-36-16-24-48-20-4-8-28-52(48)56/h1-44H
InChIKeyLJYKTJWNRMQJDZ-UHFFFAOYSA-N
MW1005.23 g/mol
LogP21.10
Rot. Bonds4

About 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene

7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene (PubChem CID 59642886) has the molecular formula C80H44 and a molecular weight of 1005.23 g/mol. Its IUPAC name is 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene.

Molecular Properties

Compound Name7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
PubChem CID59642886
Molecular FormulaC80H44
Molecular Weight1005.23 g/mol
Exact Mass1004.34
IUPAC Name7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
SMILESc1ccc2c(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)=c3ccc5c6ccc7c8c(ccc(c9ccc=4c3c95)c86)=c3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3=7)cccc2c1
InChIInChI=1S/C80H44/c1-5-25-49-45(17-1)21-13-33-53(49)71-57-29-9-10-30-58(57)72(54-34-14-22-46-18-2-6-26-50(46)54)78-66-42-38-62-64-40-44-68-76-67(43-39-63(70(64)76)61-37-41-65(77(71)78)75(66)69(61)62)79-73(55-35-15-23-47-19-3-7-27-51(47)55)59-31-11-12-32-60(59)74(80(68)79)56-36-16-24-48-20-4-8-28-52(48)56/h1-44H
InChIKeyLJYKTJWNRMQJDZ-UHFFFAOYSA-N
XLogP21.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.23
LogP ≤ 521.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene with MolForge

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Related Compounds

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CID 59090387
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CID 177294790
21,28-dinaphthalen-1-ylheptacyclo[16.12.0.02,11.03,8.012,17.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,12,14,16,18,20,22,24,26,28-pentadecaene
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9,10-bis(2-naphthalen-1-ylphenyl)anthracene
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9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
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CID 58322889

Frequently Asked Questions

What is the IUPAC name of 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The IUPAC name of 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene (CID 59642886) is 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene.
What is the SMILES notation for 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The canonical SMILES for 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene is c1ccc2c(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)=c3ccc5c6ccc7c8c(ccc(c9ccc=4c3c95)c86)=c3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3=7)cccc2c1.
What is the InChIKey of 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
The InChIKey is LJYKTJWNRMQJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H44/c1-5-25-49-45(17-1)21-13-33-53(49)71-57-29-9-10-30-58(57)72(54-34-14-22-46-18-2-6-26-50(46)54)78-66-42-38-62-64-40-44-68-76-67(43-39-63(70(64)76)61-37-41-65(77(71)78)75(66)69(61)62)79-73(55-35-15-23-47-19-3-7-27-51(47)55)59-31-11-12-32-60(59)74(80(68)79)56-36-16-24-48-20-4-8-28-52(48)56/h1-44H.
What are the key properties of 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?
7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene has a molecular weight of 1005.23 g/mol, XLogP of 21.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene is sourced from PubChem (CID 59642886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).