6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole

C118H73N17O3 — CID 159825657

IUPAC6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3o2)cc1
InChIInChI=1S/C40H25N5O.2C39H24N6O/c1-2-6-29(7-3-1)40-44-33-14-15-37-38(39(33)46-40)32-8-4-5-9-36(32)45(37)31-12-10-27(11-13-31)34-24-30(26-16-20-41-21-17-26)25-35(43-34)28-18-22-42-23-19-28;1-2-6-28(7-3-1)39-44-31-14-15-35-36(37(31)46-39)30-8-4-5-9-34(30)45(35)29-12-10-27(11-13-29)38-42-32(25-16-20-40-21-17-25)24-33(43-38)26-18-22-41-23-19-26;1-2-6-28(7-3-1)39-44-31-14-15-35-36(37(31)46-39)30-8-4-5-9-34(30)45(35)29-12-10-25(11-13-29)32-24-33(26-16-20-40-21-17-26)43-38(42-32)27-18-22-41-23-19-27/h1-25H;2*1-24H
InChIKeyNMULBFLZVNSLIH-UHFFFAOYSA-N
MW1777.00 g/mol
LogP28.12
Rot. Bonds15

About 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole

6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 159825657) has the molecular formula C118H73N17O3 and a molecular weight of 1777.00 g/mol. Its IUPAC name is 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
PubChem CID159825657
Molecular FormulaC118H73N17O3
Molecular Weight1777.00 g/mol
Exact Mass1775.61
IUPAC Name6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3o2)cc1
InChIInChI=1S/C40H25N5O.2C39H24N6O/c1-2-6-29(7-3-1)40-44-33-14-15-37-38(39(33)46-40)32-8-4-5-9-36(32)45(37)31-12-10-27(11-13-31)34-24-30(26-16-20-41-21-17-26)25-35(43-34)28-18-22-42-23-19-28;1-2-6-28(7-3-1)39-44-31-14-15-35-36(37(31)46-39)30-8-4-5-9-34(30)45(35)29-12-10-27(11-13-29)38-42-32(25-16-20-40-21-17-25)24-33(43-38)26-18-22-41-23-19-26;1-2-6-28(7-3-1)39-44-31-14-15-35-36(37(31)46-39)30-8-4-5-9-34(30)45(35)29-12-10-25(11-13-29)32-24-33(26-16-20-40-21-17-26)43-38(42-32)27-18-22-41-23-19-27/h1-25H;2*1-24H
InChIKeyNMULBFLZVNSLIH-UHFFFAOYSA-N
XLogP28.12
TPSA234.67 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001777.00
LogP ≤ 528.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole with MolForge

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Related Compounds

2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 123823501
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 123490836
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 159794158
2-phenyl-6-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 159545018
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 159252427
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 118228651
6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229485
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-pyridin-4-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400472
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
9-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 156554552
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647004

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole (CID 159825657) is 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5cc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c3o2)cc1.
What is the InChIKey of 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is NMULBFLZVNSLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O.2C39H24N6O/c1-2-6-29(7-3-1)40-44-33-14-15-37-38(39(33)46-40)32-8-4-5-9-36(32)45(37)31-12-10-27(11-13-31)34-24-30(26-16-20-41-21-17-26)25-35(43-34)28-18-22-42-23-19-28;1-2-6-28(7-3-1)39-44-31-14-15-35-36(37(31)46-39)30-8-4-5-9-34(30)45(35)29-12-10-27(11-13-29)38-42-32(25-16-20-40-21-17-25)24-33(43-38)26-18-22-41-23-19-26;1-2-6-28(7-3-1)39-44-31-14-15-35-36(37(31)46-39)30-8-4-5-9-34(30)45(35)29-12-10-25(11-13-29)32-24-33(26-16-20-40-21-17-26)43-38(42-32)27-18-22-41-23-19-27/h1-25H;2*1-24H.
What are the key properties of 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole?
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 1777.00 g/mol, XLogP of 28.12, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 159825657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).