2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C73H49N7O2 — CID 59412022

IUPAC2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc(CCCn4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1
InChIInChI=1S/C73H49N7O2/c1-5-19-48(20-6-1)70-74-76-72(81-70)54-40-47(41-55(42-54)73-77-75-71(82-73)49-21-7-2-8-22-49)18-17-39-78-64-35-31-50(52-33-37-68-60(43-52)58-27-13-15-29-66(58)79(68)56-23-9-3-10-24-56)45-62(64)63-46-51(32-36-65(63)78)53-34-38-69-61(44-53)59-28-14-16-30-67(59)80(69)57-25-11-4-12-26-57/h1-16,19-38,40-46H,17-18,39H2
InChIKeyCTKFYDDYBRAQIZ-UHFFFAOYSA-N
MW1056.24 g/mol
LogP18.39
Rot. Bonds12

About 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59412022) has the molecular formula C73H49N7O2 and a molecular weight of 1056.24 g/mol. Its IUPAC name is 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59412022
Molecular FormulaC73H49N7O2
Molecular Weight1056.24 g/mol
Exact Mass1055.39
IUPAC Name2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc(CCCn4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1
InChIInChI=1S/C73H49N7O2/c1-5-19-48(20-6-1)70-74-76-72(81-70)54-40-47(41-55(42-54)73-77-75-71(82-73)49-21-7-2-8-22-49)18-17-39-78-64-35-31-50(52-33-37-68-60(43-52)58-27-13-15-29-66(58)79(68)56-23-9-3-10-24-56)45-62(64)63-46-51(32-36-65(63)78)53-34-38-69-61(44-53)59-28-14-16-30-67(59)80(69)57-25-11-4-12-26-57/h1-16,19-38,40-46H,17-18,39H2
InChIKeyCTKFYDDYBRAQIZ-UHFFFAOYSA-N
XLogP18.39
TPSA92.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.24
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59412022) is 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cc(CCCn4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1.
What is the InChIKey of 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CTKFYDDYBRAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N7O2/c1-5-19-48(20-6-1)70-74-76-72(81-70)54-40-47(41-55(42-54)73-77-75-71(82-73)49-21-7-2-8-22-49)18-17-39-78-64-35-31-50(52-33-37-68-60(43-52)58-27-13-15-29-66(58)79(68)56-23-9-3-10-24-56)45-62(64)63-46-51(32-36-65(63)78)53-34-38-69-61(44-53)59-28-14-16-30-67(59)80(69)57-25-11-4-12-26-57/h1-16,19-38,40-46H,17-18,39H2.
What are the key properties of 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1056.24 g/mol, XLogP of 18.39, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]propyl]-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59412022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).