2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole

C48H35N5O — CID 91370808

IUPAC2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(CCCn3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)o1
InChIInChI=1S/C48H35N5O/c1-31-49-50-48(54-31)33-22-20-32(21-23-33)11-10-28-51-42-26-24-34(52-44-16-6-2-12-36(44)37-13-3-7-17-45(37)52)29-40(42)41-30-35(25-27-43(41)51)53-46-18-8-4-14-38(46)39-15-5-9-19-47(39)53/h2-9,12-27,29-30H,10-11,28H2,1H3
InChIKeyNRAYMKAWCWNNSO-UHFFFAOYSA-N
MW697.84 g/mol
LogP11.98
Rot. Bonds7

About 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole

2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 91370808) has the molecular formula C48H35N5O and a molecular weight of 697.84 g/mol. Its IUPAC name is 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID91370808
Molecular FormulaC48H35N5O
Molecular Weight697.84 g/mol
Exact Mass697.28
IUPAC Name2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(CCCn3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)o1
InChIInChI=1S/C48H35N5O/c1-31-49-50-48(54-31)33-22-20-32(21-23-33)11-10-28-51-42-26-24-34(52-44-16-6-2-12-36(44)37-13-3-7-17-45(37)52)29-40(42)41-30-35(25-27-43(41)51)53-46-18-8-4-14-38(46)39-15-5-9-19-47(39)53/h2-9,12-27,29-30H,10-11,28H2,1H3
InChIKeyNRAYMKAWCWNNSO-UHFFFAOYSA-N
XLogP11.98
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole (CID 91370808) is 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(CCCn3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)o1.
What is the InChIKey of 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is NRAYMKAWCWNNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N5O/c1-31-49-50-48(54-31)33-22-20-32(21-23-33)11-10-28-51-42-26-24-34(52-44-16-6-2-12-36(44)37-13-3-7-17-45(37)52)29-40(42)41-30-35(25-27-43(41)51)53-46-18-8-4-14-38(46)39-15-5-9-19-47(39)53/h2-9,12-27,29-30H,10-11,28H2,1H3.
What are the key properties of 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole?
2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 697.84 g/mol, XLogP of 11.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 91370808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).