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

C53H33N — CID 138553325

IUPAC5-[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
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c(cn3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc23)c1
InChIInChI=1S/C53H33N/c1-2-15-35-30-37(29-28-34(35)14-1)36-16-13-17-38(31-36)52-45-24-9-11-26-47(45)53(48-27-12-10-25-46(48)52)51-32-49-43-22-7-5-20-41(43)39-18-3-4-19-40(39)42-21-6-8-23-44(42)50(49)33-54-51/h1-33H/b41-39-,42-40-,49-43-,50-44-
InChIKeyZXTNZFNFBLFZHU-YRXIIUOMSA-N
MW683.85 g/mol
LogP14.52
Rot. Bonds3

About 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

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 (PubChem CID 138553325) has the molecular formula C53H33N and a molecular weight of 683.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID138553325
Molecular FormulaC53H33N
Molecular Weight683.85 g/mol
Exact Mass683.26
IUPAC Name5-[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
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c(cn3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc23)c1
InChIInChI=1S/C53H33N/c1-2-15-35-30-37(29-28-34(35)14-1)36-16-13-17-38(31-36)52-45-24-9-11-26-47(45)53(48-27-12-10-25-46(48)52)51-32-49-43-22-7-5-20-41(43)39-18-3-4-19-40(39)42-21-6-8-23-44(42)50(49)33-54-51/h1-33H/b41-39-,42-40-,49-43-,50-44-
InChIKeyZXTNZFNFBLFZHU-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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
9-[3,4-bis(2-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-[3,4-bis(3-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[4-(2-phenylphenyl)-3-(3-phenylphenyl)phenyl]anthracene
CID 157150348
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762708
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4c(cn3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is ZXTNZFNFBLFZHU-YRXIIUOMSA-N. The full InChI is InChI=1S/C53H33N/c1-2-15-35-30-37(29-28-34(35)14-1)36-16-13-17-38(31-36)52-45-24-9-11-26-47(45)53(48-27-12-10-25-46(48)52)51-32-49-43-22-7-5-20-41(43)39-18-3-4-19-40(39)42-21-6-8-23-44(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-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?
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 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-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 is sourced from PubChem (CID 138553325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).