17-[10-(2-phenylnaphthalen-1-yl)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 155762703

IUPAC17-[10-(2-phenylnaphthalen-1-yl)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
SMILESc1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C52H32/c1-2-15-33(16-3-1)36-30-29-34-17-4-5-18-35(34)51(36)52-45-25-12-10-23-42(45)50(43-24-11-13-26-46(43)52)48-32-31-47-40-22-9-7-20-38(40)37-19-6-8-21-39(37)41-27-14-28-44(48)49(41)47/h1-32H
InChIKeyALCGBXHUXDUHEC-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.61
Rot. Bonds3

About 17-[10-(2-phenylnaphthalen-1-yl)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-(2-phenylnaphthalen-1-yl)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 155762703) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 17-[10-(2-phenylnaphthalen-1-yl)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-(2-phenylnaphthalen-1-yl)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 CID155762703
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name17-[10-(2-phenylnaphthalen-1-yl)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
SMILESc1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C52H32/c1-2-15-33(16-3-1)36-30-29-34-17-4-5-18-35(34)51(36)52-45-25-12-10-23-42(45)50(43-24-11-13-26-46(43)52)48-32-31-47-40-22-9-7-20-38(40)37-19-6-8-21-39(37)41-27-14-28-44(48)49(41)47/h1-32H
InChIKeyALCGBXHUXDUHEC-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'}

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Related Compounds

1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
2-(2-naphthalen-1-ylphenyl)-1-(2-phenylnaphthalen-1-yl)chrysene
CID 166134021
6-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 176590456
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898
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
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
9-(2-phenylnaphthalen-1-yl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[2-(3-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[3-(3-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[3-(4-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 167593717
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
1,2-diphenylnaphthalene
CID 11208267
18,19-diphenylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
CID 140529722

Frequently Asked Questions

What is the IUPAC name of 17-[10-(2-phenylnaphthalen-1-yl)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-(2-phenylnaphthalen-1-yl)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 155762703) is 17-[10-(2-phenylnaphthalen-1-yl)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-(2-phenylnaphthalen-1-yl)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-(2-phenylnaphthalen-1-yl)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 c1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc4c5c(cccc35)-c3ccccc3-c3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of 17-[10-(2-phenylnaphthalen-1-yl)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 ALCGBXHUXDUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-2-15-33(16-3-1)36-30-29-34-17-4-5-18-35(34)51(36)52-45-25-12-10-23-42(45)50(43-24-11-13-26-46(43)52)48-32-31-47-40-22-9-7-20-38(40)37-19-6-8-21-39(37)41-27-14-28-44(48)49(41)47/h1-32H.
What are the key properties of 17-[10-(2-phenylnaphthalen-1-yl)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-(2-phenylnaphthalen-1-yl)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-(2-phenylnaphthalen-1-yl)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 155762703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).