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

C52H32 — CID 155762708

IUPAC17-[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
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c3ccccc23)c1
InChIInChI=1S/C52H32/c1-2-14-34-31-36(28-27-33(34)13-1)35-15-11-16-37(32-35)50-43-21-7-9-23-45(43)52(46-24-10-8-22-44(46)50)49-30-29-48-41-20-6-4-18-39(41)38-17-3-5-19-40(38)42-25-12-26-47(49)51(42)48/h1-32H
InChIKeyWCSSMNXQKLXKRX-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.61
Rot. Bonds3

About 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

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 (PubChem CID 155762708) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-[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
PubChem CID155762708
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name17-[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
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c3ccccc23)c1
InChIInChI=1S/C52H32/c1-2-14-34-31-36(28-27-33(34)13-1)35-15-11-16-37(32-35)50-43-21-7-9-23-45(43)52(46-24-10-8-22-44(46)50)49-30-29-48-41-20-6-4-18-39(41)38-17-3-5-19-40(38)42-25-12-26-47(49)51(42)48/h1-32H
InChIKeyWCSSMNXQKLXKRX-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143913993

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c3ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is WCSSMNXQKLXKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-2-14-34-31-36(28-27-33(34)13-1)35-15-11-16-37(32-35)50-43-21-7-9-23-45(43)52(46-24-10-8-22-44(46)50)49-30-29-48-41-20-6-4-18-39(41)38-17-3-5-19-40(38)42-25-12-26-47(49)51(42)48/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 656.83 g/mol, XLogP of 14.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155762708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).