9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene

C56H34 — CID 59642822

IUPAC9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c3c4c2cccc4c2cccc4c(-c5ccc6c(-c7ccccc7)cccc6c5)c5ccccc5c3c42)cc1
InChIInChI=1S/C56H34/c1-3-16-35(17-4-1)39-27-13-20-37-34-38(32-33-41(37)39)51-43-23-9-11-25-47(43)55-53-45(28-14-30-49(51)53)46-29-15-31-50-52(44-24-10-12-26-48(44)56(55)54(46)50)42-22-8-7-21-40(42)36-18-5-2-6-19-36/h1-34H
InChIKeyFZPWJGTWENKAGW-UHFFFAOYSA-N
MW706.89 g/mol
LogP15.86
Rot. Bonds4

About 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene

9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene (PubChem CID 59642822) has the molecular formula C56H34 and a molecular weight of 706.89 g/mol. Its IUPAC name is 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene.

Molecular Properties

Compound Name9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
PubChem CID59642822
Molecular FormulaC56H34
Molecular Weight706.89 g/mol
Exact Mass706.27
IUPAC Name9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c3c4c2cccc4c2cccc4c(-c5ccc6c(-c7ccccc7)cccc6c5)c5ccccc5c3c42)cc1
InChIInChI=1S/C56H34/c1-3-16-35(17-4-1)39-27-13-20-37-34-38(32-33-41(37)39)51-43-23-9-11-25-47(43)55-53-45(28-14-30-49(51)53)46-29-15-31-50-52(44-24-10-12-26-48(44)56(55)54(46)50)42-22-8-7-21-40(42)36-18-5-2-6-19-36/h1-34H
InChIKeyFZPWJGTWENKAGW-UHFFFAOYSA-N
XLogP15.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 515.86
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'}

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Related Compounds

9-(2-phenylphenyl)-20-(4-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 59642746
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
10-naphthalen-1-yl-1,9-bis(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-1-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 159756226
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 58323303
9-naphthalen-1-yl-24-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene
CID 59642443
9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158371544
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(2-phenylphenyl)-10-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]anthracene;9-[2-(4-phenylphenyl)phenyl]-10-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]anthracene;9-[2-(4-phenylphenyl)phenyl]-10-[4-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 158444293
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 165002547

Frequently Asked Questions

What is the IUPAC name of 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene?
The IUPAC name of 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene (CID 59642822) is 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene.
What is the SMILES notation for 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene?
The canonical SMILES for 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene is c1ccc(-c2ccccc2-c2c3ccccc3c3c4c2cccc4c2cccc4c(-c5ccc6c(-c7ccccc7)cccc6c5)c5ccccc5c3c42)cc1.
What is the InChIKey of 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene?
The InChIKey is FZPWJGTWENKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34/c1-3-16-35(17-4-1)39-27-13-20-37-34-38(32-33-41(37)39)51-43-23-9-11-25-47(43)55-53-45(28-14-30-49(51)53)46-29-15-31-50-52(44-24-10-12-26-48(44)56(55)54(46)50)42-22-8-7-21-40(42)36-18-5-2-6-19-36/h1-34H.
What are the key properties of 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene?
9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene has a molecular weight of 706.89 g/mol, XLogP of 15.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-phenylnaphthalen-2-yl)-20-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene is sourced from PubChem (CID 59642822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).