6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine

C154H96N8O — CID 158142392

IUPAC6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine
SMILESc1ccc(-c2ccc3c4ccc(-c5ccc6ncoc6c5)cc4c4ccccc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccn5)cc4c4ccccc4c3c2)nc1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1cnc2c(-c3ccc4c5ccc(-c6cccc7cccnc67)cc5c5ccccc5c4c3)cccc2c1.c1cnc2ccc(-c3ccc4c(c3)c3ccccc3c3ccc(-c5ccc6ncccc6c5)cc34)cc2c1
InChIInChI=1S/2C36H22N2.C31H19NO.C28H18N2.C23H15N/c1-2-12-30-29(11-1)33-21-25(27-13-3-7-23-9-5-19-37-35(23)27)15-17-31(33)32-18-16-26(22-34(30)32)28-14-4-8-24-10-6-20-38-36(24)28;1-2-8-30-29(7-1)31-13-9-25(23-11-15-35-27(19-23)5-3-17-37-35)22-34(31)32-14-10-26(21-33(30)32)24-12-16-36-28(20-24)6-4-18-38-36;1-2-6-20(7-3-1)21-10-13-26-27-14-11-22(23-12-15-30-31(18-23)33-19-32-30)17-29(27)25-9-5-4-8-24(25)28(26)16-21;1-2-8-22-21(7-1)25-17-19(27-9-3-5-15-29-27)11-13-23(25)24-14-12-20(18-26(22)24)28-10-4-6-16-30-28;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23/h2*1-22H;1-19H;1-18H;1-15H
InChIKeyFUCHVTSSHOZESX-UHFFFAOYSA-N
MW2074.52 g/mol
LogP41.25
Rot. Bonds9

About 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine

6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine (PubChem CID 158142392) has the molecular formula C154H96N8O and a molecular weight of 2074.52 g/mol. Its IUPAC name is 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine.

Molecular Properties

Compound Name6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine
PubChem CID158142392
Molecular FormulaC154H96N8O
Molecular Weight2074.52 g/mol
Exact Mass2072.77
IUPAC Name6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine
SMILESc1ccc(-c2ccc3c4ccc(-c5ccc6ncoc6c5)cc4c4ccccc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccn5)cc4c4ccccc4c3c2)nc1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1cnc2c(-c3ccc4c5ccc(-c6cccc7cccnc67)cc5c5ccccc5c4c3)cccc2c1.c1cnc2ccc(-c3ccc4c(c3)c3ccccc3c3ccc(-c5ccc6ncccc6c5)cc34)cc2c1
InChIInChI=1S/2C36H22N2.C31H19NO.C28H18N2.C23H15N/c1-2-12-30-29(11-1)33-21-25(27-13-3-7-23-9-5-19-37-35(23)27)15-17-31(33)32-18-16-26(22-34(30)32)28-14-4-8-24-10-6-20-38-36(24)28;1-2-8-30-29(7-1)31-13-9-25(23-11-15-35-27(19-23)5-3-17-37-35)22-34(31)32-14-10-26(21-33(30)32)24-12-16-36-28(20-24)6-4-18-38-36;1-2-6-20(7-3-1)21-10-13-26-27-14-11-22(23-12-15-30-31(18-23)33-19-32-30)17-29(27)25-9-5-4-8-24(25)28(26)16-21;1-2-8-22-21(7-1)25-17-19(27-9-3-5-15-29-27)11-13-23(25)24-14-12-20(18-26(22)24)28-10-4-6-16-30-28;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23/h2*1-22H;1-19H;1-18H;1-15H
InChIKeyFUCHVTSSHOZESX-UHFFFAOYSA-N
XLogP41.25
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002074.52
LogP ≤ 541.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine with MolForge

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Related Compounds

6-(4-Pyridin-4-ylquinolin-6-yl)-1,3-benzoxazol-2-amine
CID 70798490
1,3-Bis(2-(quinolin-6-yl)benzo[d]oxazol-5-yl)benzene
CID 86724828
5-(4-(9,9-Dimethyl-9H-fluoren-3-yl)naphthalen-1-yl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257149
Benzoxazolophenanthridine
CID 129723909
6-(2-Fluorophenyl)-2-quinolin-6-yl-1,3-benzoxazole
CID 57940858
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958484
2-[4-[4-[6-Pyridin-2-yl-2-[4-[4-[4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]pyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958541
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-2-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958577
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4-methyl-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 88590518
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazole
CID 88590522
1-[4-[(15-Fluoro-5-oxa-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,10,14,16-octaen-4-yl)methyl]piperazin-1-yl]ethanone
CID 89904682
6-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156665356

Frequently Asked Questions

What is the IUPAC name of 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine?
The IUPAC name of 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine (CID 158142392) is 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine.
What is the SMILES notation for 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine?
The canonical SMILES for 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine is c1ccc(-c2ccc3c4ccc(-c5ccc6ncoc6c5)cc4c4ccccc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccn5)cc4c4ccccc4c3c2)nc1.c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc1.c1cnc2c(-c3ccc4c5ccc(-c6cccc7cccnc67)cc5c5ccccc5c4c3)cccc2c1.c1cnc2ccc(-c3ccc4c(c3)c3ccccc3c3ccc(-c5ccc6ncccc6c5)cc34)cc2c1.
What is the InChIKey of 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine?
The InChIKey is FUCHVTSSHOZESX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H22N2.C31H19NO.C28H18N2.C23H15N/c1-2-12-30-29(11-1)33-21-25(27-13-3-7-23-9-5-19-37-35(23)27)15-17-31(33)32-18-16-26(22-34(30)32)28-14-4-8-24-10-6-20-38-36(24)28;1-2-8-30-29(7-1)31-13-9-25(23-11-15-35-27(19-23)5-3-17-37-35)22-34(31)32-14-10-26(21-33(30)32)24-12-16-36-28(20-24)6-4-18-38-36;1-2-6-20(7-3-1)21-10-13-26-27-14-11-22(23-12-15-30-31(18-23)33-19-32-30)17-29(27)25-9-5-4-8-24(25)28(26)16-21;1-2-8-22-21(7-1)25-17-19(27-9-3-5-15-29-27)11-13-23(25)24-14-12-20(18-26(22)24)28-10-4-6-16-30-28;1-2-9-19-17(7-1)18-8-3-4-10-20(18)22-15-16(12-13-21(19)22)23-11-5-6-14-24-23/h2*1-22H;1-19H;1-18H;1-15H.
What are the key properties of 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine?
6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine has a molecular weight of 2074.52 g/mol, XLogP of 41.25, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-phenyltriphenylen-2-yl)-1,3-benzoxazole;2-(7-pyridin-2-yltriphenylen-2-yl)pyridine;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-triphenylen-2-ylpyridine is sourced from PubChem (CID 158142392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).