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

C93H59N9O2 — CID 159252427

IUPAC2-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
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)nc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)nc7ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C47H30N4O.C46H29N5O/c1-4-13-31(14-5-1)32-23-25-33(26-24-32)40-30-41(49-46(48-40)34-15-6-2-7-16-34)36-19-12-20-37(29-36)51-42-22-11-10-21-38(42)44-43(51)28-27-39-45(44)52-47(50-39)35-17-8-3-9-18-35;1-4-13-30(14-5-1)31-23-25-33(26-24-31)44-48-43(32-15-6-2-7-16-32)49-45(50-44)35-19-12-20-36(29-35)51-39-22-11-10-21-37(39)41-40(51)28-27-38-42(41)52-46(47-38)34-17-8-3-9-18-34/h1-30H;1-29H
InChIKeyKVLVBWRDQYZVEX-UHFFFAOYSA-N
MW1334.56 g/mol
LogP23.49
Rot. Bonds12

About 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

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 (PubChem CID 159252427) has the molecular formula C93H59N9O2 and a molecular weight of 1334.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159252427
Molecular FormulaC93H59N9O2
Molecular Weight1334.56 g/mol
Exact Mass1333.48
IUPAC Name2-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
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)nc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)nc7ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C47H30N4O.C46H29N5O/c1-4-13-31(14-5-1)32-23-25-33(26-24-32)40-30-41(49-46(48-40)34-15-6-2-7-16-34)36-19-12-20-37(29-36)51-42-22-11-10-21-38(42)44-43(51)28-27-39-45(44)52-47(50-39)35-17-8-3-9-18-35;1-4-13-30(14-5-1)31-23-25-33(26-24-31)44-48-43(32-15-6-2-7-16-32)49-45(50-44)35-19-12-20-36(29-35)51-39-22-11-10-21-37(39)41-40(51)28-27-38-42(41)52-46(47-38)34-17-8-3-9-18-34/h1-30H;1-29H
InChIKeyKVLVBWRDQYZVEX-UHFFFAOYSA-N
XLogP23.49
TPSA126.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.56
LogP ≤ 523.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 118228651
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
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 123490836
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-[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
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 160615868
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)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;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)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 158955537
5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 161186083
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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 169037518
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229522
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)nc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)nc7ccc65)c4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KVLVBWRDQYZVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O.C46H29N5O/c1-4-13-31(14-5-1)32-23-25-33(26-24-32)40-30-41(49-46(48-40)34-15-6-2-7-16-34)36-19-12-20-37(29-36)51-42-22-11-10-21-38(42)44-43(51)28-27-39-45(44)52-47(50-39)35-17-8-3-9-18-35;1-4-13-30(14-5-1)31-23-25-33(26-24-31)44-48-43(32-15-6-2-7-16-32)49-45(50-44)35-19-12-20-36(29-35)51-39-22-11-10-21-37(39)41-40(51)28-27-38-42(41)52-46(47-38)34-17-8-3-9-18-34/h1-30H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 1334.56 g/mol, XLogP of 23.49, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159252427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).