5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

C53H33N — CID 138553324

IUPAC5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4c(cn3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc23)c1
InChIInChI=1S/C53H33N/c1-2-19-37-34(15-1)16-14-30-38(37)35-17-13-18-36(31-35)52-45-26-9-11-28-47(45)53(48-29-12-10-27-46(48)52)51-32-49-43-24-7-5-22-41(43)39-20-3-4-21-40(39)42-23-6-8-25-44(42)50(49)33-54-51/h1-33H/b41-39-,42-40-,49-43-,50-44-
InChIKeyCQGJFKVFVJMVPY-YRXIIUOMSA-N
MW683.85 g/mol
LogP14.52
Rot. Bonds3

About 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 138553324) has the molecular formula C53H33N and a molecular weight of 683.85 g/mol. Its IUPAC name is 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
PubChem CID138553324
Molecular FormulaC53H33N
Molecular Weight683.85 g/mol
Exact Mass683.26
IUPAC Name5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4c(cn3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc23)c1
InChIInChI=1S/C53H33N/c1-2-19-37-34(15-1)16-14-30-38(37)35-17-13-18-36(31-35)52-45-26-9-11-28-47(45)53(48-29-12-10-27-46(48)52)51-32-49-43-24-7-5-22-41(43)39-20-3-4-21-40(39)42-23-6-8-25-44(42)50(49)33-54-51/h1-33H/b41-39-,42-40-,49-43-,50-44-
InChIKeyCQGJFKVFVJMVPY-YRXIIUOMSA-N
XLogP14.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.85
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene with MolForge

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Related Compounds

5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 138553325
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-5-tetraphenylen-2-ylpyridine;3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-5-tetraphenylen-2-ylpyridine;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-tetraphenylen-2-ylpyridine
CID 157403194
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158722566
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837

Frequently Asked Questions

What is the IUPAC name of 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 138553324) is 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4c(cn3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc23)c1.
What is the InChIKey of 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is CQGJFKVFVJMVPY-YRXIIUOMSA-N. The full InChI is InChI=1S/C53H33N/c1-2-19-37-34(15-1)16-14-30-38(37)35-17-13-18-36(31-35)52-45-26-9-11-28-47(45)53(48-29-12-10-27-46(48)52)51-32-49-43-24-7-5-22-41(43)39-20-3-4-21-40(39)42-23-6-8-25-44(42)50(49)33-54-51/h1-33H/b41-39-,42-40-,49-43-,50-44-.
What are the key properties of 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 683.85 g/mol, XLogP of 14.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 138553324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).