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

C42H26 — CID 166019815

IUPAC20-(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
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)c3c2-c2cc4ccccc4c4cccc-3c24)cc1
InChIInChI=1S/C42H26/c1-2-11-28(12-3-1)35-22-23-36(32-16-8-15-30(25-32)31-21-20-27-10-4-5-13-29(27)24-31)41-38-19-9-18-37-34-17-7-6-14-33(34)26-39(40(37)38)42(35)41/h1-26H
InChIKeyFXVLVKXNFOFYBL-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.79
Rot. Bonds3

About 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

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 (PubChem CID 166019815) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name20-(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
PubChem CID166019815
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name20-(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
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)c3c2-c2cc4ccccc4c4cccc-3c24)cc1
InChIInChI=1S/C42H26/c1-2-11-28(12-3-1)35-22-23-36(32-16-8-15-30(25-32)31-21-20-27-10-4-5-13-29(27)24-31)41-38-19-9-18-37-34-17-7-6-14-33(34)26-39(40(37)38)42(35)41/h1-26H
InChIKeyFXVLVKXNFOFYBL-UHFFFAOYSA-N
XLogP11.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143913993
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309751

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)c3c2-c2cc4ccccc4c4cccc-3c24)cc1.
What is the InChIKey of 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?
The InChIKey is FXVLVKXNFOFYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-2-11-28(12-3-1)35-22-23-36(32-16-8-15-30(25-32)31-21-20-27-10-4-5-13-29(27)24-31)41-38-19-9-18-37-34-17-7-6-14-33(34)26-39(40(37)38)42(35)41/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 530.67 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166019815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).