5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole

C197H124N14O4 — CID 157104878

IUPAC5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc3c2)cc1.c1ccc(-c2nc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)c3o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc(-c6cccc(-c7cccnc7)c6)nc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc(-c6cccnc6)nc5c4)ccc32)cc1
InChIInChI=1S/C52H33N3O.C49H31N3O.2C48H30N4O/c1-2-16-42(17-3-1)55-49-21-7-6-19-45(49)47-30-38(26-27-50(47)55)41-31-46(36-24-22-35(23-25-36)44-20-9-12-34-11-4-5-18-43(34)44)51-48(32-41)54-52(56-51)39-14-8-13-37(29-39)40-15-10-28-53-33-40;1-3-15-32(16-4-1)34-29-42(33-17-5-2-6-18-33)48-43(30-34)50-49(53-48)35-27-36(51-44-23-11-7-19-38(44)39-20-8-12-24-45(39)51)31-37(28-35)52-46-25-13-9-21-40(46)41-22-10-14-26-47(41)52;1-4-12-31(13-5-1)48-50-42-29-34(32-20-22-44-39(26-32)37-18-10-11-19-43(37)51(44)35-14-6-2-7-15-35)28-38(47(42)53-48)33-21-23-45-40(27-33)41-30-49-25-24-46(41)52(45)36-16-8-3-9-17-36;1-3-13-35(14-4-1)51-43-19-9-7-17-37(43)40-26-31(21-23-45(40)51)34-28-39(47-42(29-34)50-48(53-47)33-12-11-25-49-30-33)32-22-24-46-41(27-32)38-18-8-10-20-44(38)52(46)36-15-5-2-6-16-36/h1-33H;1-31H;2*1-30H
InChIKeyAGEMRESKZCDLQN-UHFFFAOYSA-N
MW2751.25 g/mol
LogP51.67
Rot. Bonds21

About 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole

5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole (PubChem CID 157104878) has the molecular formula C197H124N14O4 and a molecular weight of 2751.25 g/mol. Its IUPAC name is 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole
PubChem CID157104878
Molecular FormulaC197H124N14O4
Molecular Weight2751.25 g/mol
Exact Mass2748.99
IUPAC Name5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc3c2)cc1.c1ccc(-c2nc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)c3o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc(-c6cccc(-c7cccnc7)c6)nc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc(-c6cccnc6)nc5c4)ccc32)cc1
InChIInChI=1S/C52H33N3O.C49H31N3O.2C48H30N4O/c1-2-16-42(17-3-1)55-49-21-7-6-19-45(49)47-30-38(26-27-50(47)55)41-31-46(36-24-22-35(23-25-36)44-20-9-12-34-11-4-5-18-43(34)44)51-48(32-41)54-52(56-51)39-14-8-13-37(29-39)40-15-10-28-53-33-40;1-3-15-32(16-4-1)34-29-42(33-17-5-2-6-18-33)48-43(30-34)50-49(53-48)35-27-36(51-44-23-11-7-19-38(44)39-20-8-12-24-45(39)51)31-37(28-35)52-46-25-13-9-21-40(46)41-22-10-14-26-47(41)52;1-4-12-31(13-5-1)48-50-42-29-34(32-20-22-44-39(26-32)37-18-10-11-19-43(37)51(44)35-14-6-2-7-15-35)28-38(47(42)53-48)33-21-23-45-40(27-33)41-30-49-25-24-46(41)52(45)36-16-8-3-9-17-36;1-3-13-35(14-4-1)51-43-19-9-7-17-37(43)40-26-31(21-23-45(40)51)34-28-39(47-42(29-34)50-48(53-47)33-12-11-25-49-30-33)32-22-24-46-41(27-32)38-18-8-10-20-44(38)52(46)36-15-5-2-6-16-36/h1-33H;1-31H;2*1-30H
InChIKeyAGEMRESKZCDLQN-UHFFFAOYSA-N
XLogP51.67
TPSA177.30 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms215
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002751.25
LogP ≤ 551.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole?
The IUPAC name of 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole (CID 157104878) is 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole?
The canonical SMILES for 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3)c3oc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc3c2)cc1.c1ccc(-c2nc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)c3o2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc(-c6cccc(-c7cccnc7)c6)nc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5oc(-c6cccnc6)nc5c4)ccc32)cc1.
What is the InChIKey of 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole?
The InChIKey is AGEMRESKZCDLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O.C49H31N3O.2C48H30N4O/c1-2-16-42(17-3-1)55-49-21-7-6-19-45(49)47-30-38(26-27-50(47)55)41-31-46(36-24-22-35(23-25-36)44-20-9-12-34-11-4-5-18-43(34)44)51-48(32-41)54-52(56-51)39-14-8-13-37(29-39)40-15-10-28-53-33-40;1-3-15-32(16-4-1)34-29-42(33-17-5-2-6-18-33)48-43(30-34)50-49(53-48)35-27-36(51-44-23-11-7-19-38(44)39-20-8-12-24-45(39)51)31-37(28-35)52-46-25-13-9-21-40(46)41-22-10-14-26-47(41)52;1-4-12-31(13-5-1)48-50-42-29-34(32-20-22-44-39(26-32)37-18-10-11-19-43(37)51(44)35-14-6-2-7-15-35)28-38(47(42)53-48)33-21-23-45-40(27-33)41-30-49-25-24-46(41)52(45)36-16-8-3-9-17-36;1-3-13-35(14-4-1)51-43-19-9-7-17-37(43)40-26-31(21-23-45(40)51)34-28-39(47-42(29-34)50-48(53-47)33-12-11-25-49-30-33)32-22-24-46-41(27-32)38-18-8-10-20-44(38)52(46)36-15-5-2-6-16-36/h1-33H;1-31H;2*1-30H.
What are the key properties of 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole?
5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole has a molecular weight of 2751.25 g/mol, XLogP of 51.67, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(9-phenylcarbazol-3-yl)-2-pyridin-3-yl-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-5,7-diphenyl-1,3-benzoxazole;7-(4-naphthalen-1-ylphenyl)-5-(9-phenylcarbazol-3-yl)-2-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-phenyl-5-(9-phenylcarbazol-3-yl)-7-(5-phenylpyrido[4,3-b]indol-8-yl)-1,3-benzoxazole is sourced from PubChem (CID 157104878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).