2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline

C142H86N8O3 — CID 159637814

IUPAC2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline
SMILESc1cc(-c2ccnc(-c3ccc4c5ccc(-c6cc(-c7cccc8ncccc78)ccn6)cc5c5ccccc5c4c3)c2)c2cccnc2c1.c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ncccc23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2c2c(-c4cccc5ncoc45)cccc32)cc1.c1ccc2oc(-c3ccc4c5ccc(-c6nc7ccccc7o6)cc5c5ccccc5c4c3)nc2c1
InChIInChI=1S/C46H28N4.C33H21N.C32H18N2O2.C31H19NO/c1-2-8-36-35(7-1)41-25-31(45-27-29(19-23-49-45)33-9-3-13-43-39(33)11-5-21-47-43)15-17-37(41)38-18-16-32(26-42(36)38)46-28-30(20-24-50-46)34-10-4-14-44-40(34)12-6-22-48-44;1-2-9-22(10-3-1)24-18-19-25(33-31(24)15-8-20-34-33)23-16-17-30-28-13-5-4-11-26(28)27-12-6-7-14-29(27)32(30)21-23;1-2-8-22-21(7-1)25-17-19(31-33-27-9-3-5-11-29(27)35-31)13-15-23(25)24-16-14-20(18-26(22)24)32-34-28-10-4-6-12-30(28)36-32;1-2-8-20(9-3-1)21-16-17-23-25-12-6-13-26(27-14-7-15-29-31(27)33-19-32-29)30(25)24-11-5-4-10-22(24)28(23)18-21/h1-28H;1-21H;1-18H;1-19H
InChIKeyMPYUVWPTLYSDMJ-UHFFFAOYSA-N
MW1952.30 g/mol
LogP38.11
Rot. Bonds10

About 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline

2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline (PubChem CID 159637814) has the molecular formula C142H86N8O3 and a molecular weight of 1952.30 g/mol. Its IUPAC name is 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline.

Molecular Properties

Compound Name2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline
PubChem CID159637814
Molecular FormulaC142H86N8O3
Molecular Weight1952.30 g/mol
Exact Mass1950.68
IUPAC Name2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline
SMILESc1cc(-c2ccnc(-c3ccc4c5ccc(-c6cc(-c7cccc8ncccc78)ccn6)cc5c5ccccc5c4c3)c2)c2cccnc2c1.c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ncccc23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2c2c(-c4cccc5ncoc45)cccc32)cc1.c1ccc2oc(-c3ccc4c5ccc(-c6nc7ccccc7o6)cc5c5ccccc5c4c3)nc2c1
InChIInChI=1S/C46H28N4.C33H21N.C32H18N2O2.C31H19NO/c1-2-8-36-35(7-1)41-25-31(45-27-29(19-23-49-45)33-9-3-13-43-39(33)11-5-21-47-43)15-17-37(41)38-18-16-32(26-42(36)38)46-28-30(20-24-50-46)34-10-4-14-44-40(34)12-6-22-48-44;1-2-9-22(10-3-1)24-18-19-25(33-31(24)15-8-20-34-33)23-16-17-30-28-13-5-4-11-26(28)27-12-6-7-14-29(27)32(30)21-23;1-2-8-22-21(7-1)25-17-19(31-33-27-9-3-5-11-29(27)35-31)13-15-23(25)24-16-14-20(18-26(22)24)32-34-28-10-4-6-12-30(28)36-32;1-2-8-20(9-3-1)21-16-17-23-25-12-6-13-26(27-14-7-15-29-31(27)33-19-32-29)30(25)24-11-5-4-10-22(24)28(23)18-21/h1-28H;1-21H;1-18H;1-19H
InChIKeyMPYUVWPTLYSDMJ-UHFFFAOYSA-N
XLogP38.11
TPSA142.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.30
LogP ≤ 538.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline with MolForge

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Related Compounds

8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
7-[6-(6-isoquinolin-6-yltriphenylen-2-yl)triphenylen-1-yl]-1,3-benzoxazole
CID 137458524
2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole
CID 146548892
5-[4-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155077896
5-[4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155078142
8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline
CID 137458976
2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 58480084
5-[4-[4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155079173
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 149428077
6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
CID 163502376
2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 147695392
14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 159851244

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline?
The IUPAC name of 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline (CID 159637814) is 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline.
What is the SMILES notation for 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline?
The canonical SMILES for 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline is c1cc(-c2ccnc(-c3ccc4c5ccc(-c6cc(-c7cccc8ncccc78)ccn6)cc5c5ccccc5c4c3)c2)c2cccnc2c1.c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ncccc23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2c2c(-c4cccc5ncoc45)cccc32)cc1.c1ccc2oc(-c3ccc4c5ccc(-c6nc7ccccc7o6)cc5c5ccccc5c4c3)nc2c1.
What is the InChIKey of 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline?
The InChIKey is MPYUVWPTLYSDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4.C33H21N.C32H18N2O2.C31H19NO/c1-2-8-36-35(7-1)41-25-31(45-27-29(19-23-49-45)33-9-3-13-43-39(33)11-5-21-47-43)15-17-37(41)38-18-16-32(26-42(36)38)46-28-30(20-24-50-46)34-10-4-14-44-40(34)12-6-22-48-44;1-2-9-22(10-3-1)24-18-19-25(33-31(24)15-8-20-34-33)23-16-17-30-28-13-5-4-11-26(28)27-12-6-7-14-29(27)32(30)21-23;1-2-8-22-21(7-1)25-17-19(31-33-27-9-3-5-11-29(27)35-31)13-15-23(25)24-16-14-20(18-26(22)24)32-34-28-10-4-6-12-30(28)36-32;1-2-8-20(9-3-1)21-16-17-23-25-12-6-13-26(27-14-7-15-29-31(27)33-19-32-29)30(25)24-11-5-4-10-22(24)28(23)18-21/h1-28H;1-21H;1-18H;1-19H.
What are the key properties of 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline?
2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline has a molecular weight of 1952.30 g/mol, XLogP of 38.11, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,3-benzoxazol-2-yl)triphenylen-2-yl]-1,3-benzoxazole;7-(7-phenyltriphenylen-1-yl)-1,3-benzoxazole;5-phenyl-8-triphenylen-2-ylquinoline;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)triphenylen-2-yl]-4-pyridinyl]quinoline is sourced from PubChem (CID 159637814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).