2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene

C60H38 — CID 59629226

IUPAC2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
SMILESc1ccc(-c2ccccc2-c2ccc3c(ccc4cc(-c5ccc6c(ccc7cc(-c8cccc(-c9cc%10ccccc%10c%10ccccc9%10)c8)ccc76)c5)ccc43)c2)cc1
InChIInChI=1S/C60H38/c1-2-11-39(12-3-1)51-16-6-7-17-52(51)50-28-32-57-49(37-50)24-23-48-36-43(27-31-56(48)57)42-26-30-55-47(35-42)22-21-46-34-41(25-29-54(46)55)40-14-10-15-44(33-40)60-38-45-13-4-5-18-53(45)58-19-8-9-20-59(58)60/h1-38H
InChIKeyTUSOZYFTTBZYND-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene

2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene (PubChem CID 59629226) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene.

Molecular Properties

Compound Name2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
PubChem CID59629226
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
SMILESc1ccc(-c2ccccc2-c2ccc3c(ccc4cc(-c5ccc6c(ccc7cc(-c8cccc(-c9cc%10ccccc%10c%10ccccc9%10)c8)ccc76)c5)ccc43)c2)cc1
InChIInChI=1S/C60H38/c1-2-11-39(12-3-1)51-16-6-7-17-52(51)50-28-32-57-49(37-50)24-23-48-36-43(27-31-56(48)57)42-26-30-55-47(35-42)22-21-46-34-41(25-29-54(46)55)40-14-10-15-44(33-40)60-38-45-13-4-5-18-53(45)58-19-8-9-20-59(58)60/h1-38H
InChIKeyTUSOZYFTTBZYND-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
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
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471
7-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638660
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
9-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-3-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 157495991

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene?
The IUPAC name of 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene (CID 59629226) is 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene.
What is the SMILES notation for 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene?
The canonical SMILES for 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene is c1ccc(-c2ccccc2-c2ccc3c(ccc4cc(-c5ccc6c(ccc7cc(-c8cccc(-c9cc%10ccccc%10c%10ccccc9%10)c8)ccc76)c5)ccc43)c2)cc1.
What is the InChIKey of 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene?
The InChIKey is TUSOZYFTTBZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-2-11-39(12-3-1)51-16-6-7-17-52(51)50-28-32-57-49(37-50)24-23-48-36-43(27-31-56(48)57)42-26-30-55-47(35-42)22-21-46-34-41(25-29-54(46)55)40-14-10-15-44(33-40)60-38-45-13-4-5-18-53(45)58-19-8-9-20-59(58)60/h1-38H.
What are the key properties of 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene?
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene has a molecular weight of 758.96 g/mol, XLogP of 16.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene is sourced from PubChem (CID 59629226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).