9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene

C64H36 — CID 59642732

IUPAC9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene
SMILESC1=Cc2c(-c3cccc4ccccc34)cc3c4cc(-c5cccc6ccccc56)c5c6c(c(-c7cccc8ccccc78)cc(c7cc(-c8cccc9ccccc89)c1c2c73)c64)C=C5
InChIInChI=1S/C64H36/c1-5-21-41-37(13-1)17-9-25-45(41)53-33-57-58-34-55(47-27-11-19-39-15-3-7-23-43(39)47)51-31-32-52-56(48-28-12-20-40-16-4-8-24-44(40)48)36-60(64(58)62(51)52)59-35-54(50-30-29-49(53)61(50)63(57)59)46-26-10-18-38-14-2-6-22-42(38)46/h1-36H
InChIKeyAODIEUUMUJDZOE-UHFFFAOYSA-N
MW804.99 g/mol
LogP17.99
Rot. Bonds4

About 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene

9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene (PubChem CID 59642732) has the molecular formula C64H36 and a molecular weight of 804.99 g/mol. Its IUPAC name is 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene.

Molecular Properties

Compound Name9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene
PubChem CID59642732
Molecular FormulaC64H36
Molecular Weight804.99 g/mol
Exact Mass804.28
IUPAC Name9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene
SMILESC1=Cc2c(-c3cccc4ccccc34)cc3c4cc(-c5cccc6ccccc56)c5c6c(c(-c7cccc8ccccc78)cc(c7cc(-c8cccc9ccccc89)c1c2c73)c64)C=C5
InChIInChI=1S/C64H36/c1-5-21-41-37(13-1)17-9-25-45(41)53-33-57-58-34-55(47-27-11-19-39-15-3-7-23-43(39)47)51-31-32-52-56(48-28-12-20-40-16-4-8-24-44(40)48)36-60(64(58)62(51)52)59-35-54(50-30-29-49(53)61(50)63(57)59)46-26-10-18-38-14-2-6-22-42(38)46/h1-36H
InChIKeyAODIEUUMUJDZOE-UHFFFAOYSA-N
XLogP17.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 517.99
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 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene with MolForge

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Related Compounds

9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 59805293
9-naphthalen-1-ylphenanthrene
CID 20606742
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401

Frequently Asked Questions

What is the IUPAC name of 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene?
The IUPAC name of 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene (CID 59642732) is 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene.
What is the SMILES notation for 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene?
The canonical SMILES for 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene is C1=Cc2c(-c3cccc4ccccc34)cc3c4cc(-c5cccc6ccccc56)c5c6c(c(-c7cccc8ccccc78)cc(c7cc(-c8cccc9ccccc89)c1c2c73)c64)C=C5.
What is the InChIKey of 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene?
The InChIKey is AODIEUUMUJDZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36/c1-5-21-41-37(13-1)17-9-25-45(41)53-33-57-58-34-55(47-27-11-19-39-15-3-7-23-43(39)47)51-31-32-52-56(48-28-12-20-40-16-4-8-24-44(40)48)36-60(64(58)62(51)52)59-35-54(50-30-29-49(53)61(50)63(57)59)46-26-10-18-38-14-2-6-22-42(38)46/h1-36H.
What are the key properties of 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene?
9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene has a molecular weight of 804.99 g/mol, XLogP of 17.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene is sourced from PubChem (CID 59642732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).