3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C52H32N+ — CID 162700912

IUPAC3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)-c1cccc3[n+]1C2c1c(-c2c4ccccc4c(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc24)cccc1-3
InChIInChI=1S/C52H32N/c1-2-16-33-32(14-1)15-11-25-34(33)37-30-31-43(36-18-4-3-17-35(36)37)49-39-20-6-8-22-41(39)50(42-23-9-7-21-40(42)49)46-27-12-26-45-48-29-13-28-47-38-19-5-10-24-44(38)52(51(45)46)53(47)48/h1-31,52H/q+1
InChIKeyVPZXVAIYUAIOLG-UHFFFAOYSA-N
MW670.84 g/mol
LogP13.19
Rot. Bonds3

About 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 162700912) has the molecular formula C52H32N+ and a molecular weight of 670.84 g/mol. Its IUPAC name is 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID162700912
Molecular FormulaC52H32N+
Molecular Weight670.84 g/mol
Exact Mass670.25
IUPAC Name3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)-c1cccc3[n+]1C2c1c(-c2c4ccccc4c(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc24)cccc1-3
InChIInChI=1S/C52H32N/c1-2-16-33-32(14-1)15-11-25-34(33)37-30-31-43(36-18-4-3-17-35(36)37)49-39-20-6-8-22-41(39)50(42-23-9-7-21-40(42)49)46-27-12-26-45-48-29-13-28-47-38-19-5-10-24-44(38)52(51(45)46)53(47)48/h1-31,52H/q+1
InChIKeyVPZXVAIYUAIOLG-UHFFFAOYSA-N
XLogP13.19
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.84
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1,9,10-trinaphthalen-1-ylanthracene
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9,10-bis(2-naphthalen-1-ylphenyl)anthracene
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1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
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CID 58645117
1,2-dinaphthalen-1-yltriphenylene
CID 166134407
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
10-naphthalen-1-ylanthracen-9-amine
CID 126729232

Frequently Asked Questions

What is the IUPAC name of 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 162700912) is 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)-c1cccc3[n+]1C2c1c(-c2c4ccccc4c(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc24)cccc1-3.
What is the InChIKey of 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is VPZXVAIYUAIOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N/c1-2-16-33-32(14-1)15-11-25-34(33)37-30-31-43(36-18-4-3-17-35(36)37)49-39-20-6-8-22-41(39)50(42-23-9-7-21-40(42)49)46-27-12-26-45-48-29-13-28-47-38-19-5-10-24-44(38)52(51(45)46)53(47)48/h1-31,52H/q+1.
What are the key properties of 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 670.84 g/mol, XLogP of 13.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 162700912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).