10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene

C50H30 — CID 140710698

IUPAC10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene
SMILESc1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2ccc3c4c(cc5ccccc5c24)-c2ccc4ccccc4c2-3)c1
InChIInChI=1S/C50H30/c1-2-10-33-26-36(17-16-31(33)8-1)38-21-20-37-27-35(18-19-39(37)28-38)34-12-7-13-40(29-34)44-24-25-46-48-42-14-5-3-9-32(42)22-23-45(48)47-30-41-11-4-6-15-43(41)49(44)50(46)47/h1-30H
InChIKeyHYZVCWCHEGLIOP-UHFFFAOYSA-N
MW630.79 g/mol
LogP14.10
Rot. Bonds3

About 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene

10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene (PubChem CID 140710698) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene.

Molecular Properties

Compound Name10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene
PubChem CID140710698
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene
SMILESc1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2ccc3c4c(cc5ccccc5c24)-c2ccc4ccccc4c2-3)c1
InChIInChI=1S/C50H30/c1-2-10-33-26-36(17-16-31(33)8-1)38-21-20-37-27-35(18-19-39(37)28-38)34-12-7-13-40(29-34)44-24-25-46-48-42-14-5-3-9-32(42)22-23-45(48)47-30-41-11-4-6-15-43(41)49(44)50(46)47/h1-30H
InChIKeyHYZVCWCHEGLIOP-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene with MolForge

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Related Compounds

2-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 121287637
1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143913993
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
2-[5-[3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)phenyl]naphthalen-2-yl]pyrazine
CID 137458865
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
CID 140710568
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
20-(3-naphthalen-2-ylphenyl)-17-phenylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 166019815
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186

Frequently Asked Questions

What is the IUPAC name of 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene?
The IUPAC name of 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene (CID 140710698) is 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene.
What is the SMILES notation for 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene?
The canonical SMILES for 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene is c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2ccc3c4c(cc5ccccc5c24)-c2ccc4ccccc4c2-3)c1.
What is the InChIKey of 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene?
The InChIKey is HYZVCWCHEGLIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-2-10-33-26-36(17-16-31(33)8-1)38-21-20-37-27-35(18-19-39(37)28-38)34-12-7-13-40(29-34)44-24-25-46-48-42-14-5-3-9-32(42)22-23-45(48)47-30-41-11-4-6-15-43(41)49(44)50(46)47/h1-30H.
What are the key properties of 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene?
10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene has a molecular weight of 630.79 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene is sourced from PubChem (CID 140710698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).