7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline

C136H88N2 — CID 159994648

IUPAC7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline
SMILESCc1cc(C)cc(-c2cc3ccc4ccc(-c5ccc6ccccc6c5)c5ccc(c2)c3c45)c1.c1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)cc1.c1cnc2cc(-c3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c3)ccc2c1
InChIInChI=1S/C37H23N.C34H24.C33H21N.C32H20/c1-2-9-33-31(7-1)32-8-3-4-10-34(32)36-22-28(17-18-35(33)36)26-14-11-24-12-15-27(21-30(24)20-26)29-16-13-25-6-5-19-38-37(25)23-29;1-21-15-22(2)17-29(16-21)30-19-27-10-8-24-11-13-31(32-14-12-28(20-30)33(27)34(24)32)26-9-7-23-5-3-4-6-25(23)18-26;1-2-10-30-28(8-1)29-9-3-4-11-31(29)33-20-25(14-15-32(30)33)23-7-5-6-22(18-23)24-12-13-27-21-34-17-16-26(27)19-24;1-2-7-21(8-3-1)27-17-18-28(30-12-5-4-11-29(27)30)26-19-24-15-13-22-9-6-10-23-14-16-25(20-26)32(24)31(22)23/h1-23H;3-20H,1-2H3;1-21H;1-20H
InChIKeyOHJQSYAQEVBRTM-UHFFFAOYSA-N
MW1750.21 g/mol
LogP37.97
Rot. Bonds8

About 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline

7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline (PubChem CID 159994648) has the molecular formula C136H88N2 and a molecular weight of 1750.21 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline
PubChem CID159994648
Molecular FormulaC136H88N2
Molecular Weight1750.21 g/mol
Exact Mass1748.69
IUPAC Name7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline
SMILESCc1cc(C)cc(-c2cc3ccc4ccc(-c5ccc6ccccc6c5)c5ccc(c2)c3c45)c1.c1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)cc1.c1cnc2cc(-c3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c3)ccc2c1
InChIInChI=1S/C37H23N.C34H24.C33H21N.C32H20/c1-2-9-33-31(7-1)32-8-3-4-10-34(32)36-22-28(17-18-35(33)36)26-14-11-24-12-15-27(21-30(24)20-26)29-16-13-25-6-5-19-38-37(25)23-29;1-21-15-22(2)17-29(16-21)30-19-27-10-8-24-11-13-31(32-14-12-28(20-30)33(27)34(24)32)26-9-7-23-5-3-4-6-25(23)18-26;1-2-10-30-28(8-1)29-9-3-4-11-31(29)33-20-25(14-15-32(30)33)23-7-5-6-22(18-23)24-12-13-27-21-34-17-16-26(27)19-24;1-2-7-21(8-3-1)27-17-18-28(30-12-5-4-11-29(27)30)26-19-24-15-13-22-9-6-10-23-14-16-25(20-26)32(24)31(22)23/h1-23H;3-20H,1-2H3;1-21H;1-20H
InChIKeyOHJQSYAQEVBRTM-UHFFFAOYSA-N
XLogP37.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001750.21
LogP ≤ 537.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152
6-(3-fluoranthen-3-ylphenyl)isoquinoline
CID 121287554
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1-(3-pyren-2-ylphenyl)pyrene
CID 156656908
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
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
9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 165107322
9,10-dinaphthalen-1-yl-2-naphthalen-2-ylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(3-naphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)triphenylene;2,9,10-trinaphthalen-2-ylanthracene
CID 159027158
9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene
CID 158279425
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437
1-[3-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]phenyl]pyrene;1-[9,9-dimethyl-7-(3-naphthalen-2-yl-5-phenylphenyl)fluoren-2-yl]pyrene;1-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]pyrene;1-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]pyrene;1-(4-naphthalen-2-ylnaphthalen-1-yl)pyrene;1-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)pyrene;1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 160669115
ethane;bis(prop-1-ene);6-[6-(3-quinolin-6-ylphenyl)pyren-1-yl]quinoline;3-[3-(6-quinolin-6-ylpyren-1-yl)phenyl]quinoline
CID 144604853

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline?
The IUPAC name of 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline (CID 159994648) is 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline?
The canonical SMILES for 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline is Cc1cc(C)cc(-c2cc3ccc4ccc(-c5ccc6ccccc6c5)c5ccc(c2)c3c45)c1.c1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)cc1.c1cnc2cc(-c3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c3)ccc2c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline?
The InChIKey is OHJQSYAQEVBRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N.C34H24.C33H21N.C32H20/c1-2-9-33-31(7-1)32-8-3-4-10-34(32)36-22-28(17-18-35(33)36)26-14-11-24-12-15-27(21-30(24)20-26)29-16-13-25-6-5-19-38-37(25)23-29;1-21-15-22(2)17-29(16-21)30-19-27-10-8-24-11-13-31(32-14-12-28(20-30)33(27)34(24)32)26-9-7-23-5-3-4-6-25(23)18-26;1-2-10-30-28(8-1)29-9-3-4-11-31(29)33-20-25(14-15-32(30)33)23-7-5-6-22(18-23)24-12-13-27-21-34-17-16-26(27)19-24;1-2-7-21(8-3-1)27-17-18-28(30-12-5-4-11-29(27)30)26-19-24-15-13-22-9-6-10-23-14-16-25(20-26)32(24)31(22)23/h1-23H;3-20H,1-2H3;1-21H;1-20H.
What are the key properties of 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline?
7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline has a molecular weight of 1750.21 g/mol, XLogP of 37.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-1-naphthalen-2-ylpyrene;2-(4-phenylnaphthalen-1-yl)pyrene;7-(7-triphenylen-2-ylnaphthalen-2-yl)quinoline;6-(3-triphenylen-2-ylphenyl)isoquinoline is sourced from PubChem (CID 159994648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).