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

C194H122 — CID 159620221

IUPAC2-[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
SMILESc1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc3cc(-c4ccc5cc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)ccc5c4)ccc3c2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)ccc21.c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc3c1)c1ccccc12
InChIInChI=1S/C50H32.3C48H30/c1-2-9-33(10-3-1)36-17-18-39-30-42(22-21-38(39)28-36)43-24-23-40-29-37(19-20-41(40)31-43)34-11-8-12-35(27-34)44-25-26-49-47-15-5-4-13-45(47)46-14-6-7-16-48(46)50(49)32-44;1-3-19-41-37(15-1)39-17-5-7-21-43(39)47-29-35(23-25-45(41)47)33-13-9-11-31(27-33)32-12-10-14-34(28-32)36-24-26-46-42-20-4-2-16-38(42)40-18-6-8-22-44(40)48(46)30-36;1-3-13-41-37(9-1)39-11-5-7-15-43(39)47-29-35(25-27-45(41)47)33-21-17-31(18-22-33)32-19-23-34(24-20-32)36-26-28-46-42-14-4-2-10-38(42)40-12-6-8-16-44(40)48(46)30-36;1-2-10-39-37(9-1)30-47(44-15-7-3-11-40(39)44)38-24-23-34-27-33(21-22-35(34)28-38)31-17-19-32(20-18-31)36-25-26-46-43-14-5-4-12-41(43)42-13-6-8-16-45(42)48(46)29-36/h1-32H;3*1-30H
InChIKeyMNUNLOOIQMLWCI-UHFFFAOYSA-N
MW2453.11 g/mol
LogP54.94
Rot. Bonds13

About 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

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 (PubChem CID 159620221) has the molecular formula C194H122 and a molecular weight of 2453.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159620221
Molecular FormulaC194H122
Molecular Weight2453.11 g/mol
Exact Mass2450.95
IUPAC Name2-[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
SMILESc1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc3cc(-c4ccc5cc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)ccc5c4)ccc3c2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)ccc21.c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc3c1)c1ccccc12
InChIInChI=1S/C50H32.3C48H30/c1-2-9-33(10-3-1)36-17-18-39-30-42(22-21-38(39)28-36)43-24-23-40-29-37(19-20-41(40)31-43)34-11-8-12-35(27-34)44-25-26-49-47-15-5-4-13-45(47)46-14-6-7-16-48(46)50(49)32-44;1-3-19-41-37(15-1)39-17-5-7-21-43(39)47-29-35(23-25-45(41)47)33-13-9-11-31(27-33)32-12-10-14-34(28-32)36-24-26-46-42-20-4-2-16-38(42)40-18-6-8-22-44(40)48(46)30-36;1-3-13-41-37(9-1)39-11-5-7-15-43(39)47-29-35(25-27-45(41)47)33-21-17-31(18-22-33)32-19-23-34(24-20-32)36-26-28-46-42-14-4-2-10-38(42)40-12-6-8-16-44(40)48(46)30-36;1-2-10-39-37(9-1)30-47(44-15-7-3-11-40(39)44)38-24-23-34-27-33(21-22-35(34)28-38)31-17-19-32(20-18-31)36-25-26-46-43-14-5-4-12-41(43)42-13-6-8-16-45(42)48(46)29-36/h1-32H;3*1-30H
InChIKeyMNUNLOOIQMLWCI-UHFFFAOYSA-N
XLogP54.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002453.11
LogP ≤ 554.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
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
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
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
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
10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629405
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
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
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc3cc(-c4ccc5cc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)ccc5c4)ccc3c2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)ccc21.c1ccc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc3c1)c1ccccc12.
What is the InChIKey of 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?
The InChIKey is MNUNLOOIQMLWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.3C48H30/c1-2-9-33(10-3-1)36-17-18-39-30-42(22-21-38(39)28-36)43-24-23-40-29-37(19-20-41(40)31-43)34-11-8-12-35(27-34)44-25-26-49-47-15-5-4-13-45(47)46-14-6-7-16-48(46)50(49)32-44;1-3-19-41-37(15-1)39-17-5-7-21-43(39)47-29-35(23-25-45(41)47)33-13-9-11-31(27-33)32-12-10-14-34(28-32)36-24-26-46-42-20-4-2-16-38(42)40-18-6-8-22-44(40)48(46)30-36;1-3-13-41-37(9-1)39-11-5-7-15-43(39)47-29-35(25-27-45(41)47)33-21-17-31(18-22-33)32-19-23-34(24-20-32)36-26-28-46-42-14-4-2-10-38(42)40-12-6-8-16-44(40)48(46)30-36;1-2-10-39-37(9-1)30-47(44-15-7-3-11-40(39)44)38-24-23-34-27-33(21-22-35(34)28-38)31-17-19-32(20-18-31)36-25-26-46-43-14-5-4-12-41(43)42-13-6-8-16-45(42)48(46)29-36/h1-32H;3*1-30H.
What are the key properties of 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?
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 has a molecular weight of 2453.11 g/mol, XLogP of 54.94, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159620221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).