N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine

C41H32N4O — CID 58903539

IUPACN,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
SMILESCC(C)c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C41H32N4O/c1-28(2)29-17-19-30(20-18-29)40-42-43-41(46-40)31-21-23-34(24-22-31)44(32-11-5-3-6-12-32)35-25-26-39-37(27-35)36-15-9-10-16-38(36)45(39)33-13-7-4-8-14-33/h3-28H,1-2H3
InChIKeyAEELIWAGEVSDHW-UHFFFAOYSA-N
MW596.73 g/mol
LogP11.09
Rot. Bonds7

About N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine

N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine (PubChem CID 58903539) has the molecular formula C41H32N4O and a molecular weight of 596.73 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
PubChem CID58903539
Molecular FormulaC41H32N4O
Molecular Weight596.73 g/mol
Exact Mass596.26
IUPAC NameN,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
SMILESCC(C)c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C41H32N4O/c1-28(2)29-17-19-30(20-18-29)40-42-43-41(46-40)31-21-23-34(24-22-31)44(32-11-5-3-6-12-32)35-25-26-39-37(27-35)36-15-9-10-16-38(36)45(39)33-13-7-4-8-14-33/h3-28H,1-2H3
InChIKeyAEELIWAGEVSDHW-UHFFFAOYSA-N
XLogP11.09
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine (CID 58903539) is N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine is CC(C)c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The InChIKey is AEELIWAGEVSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N4O/c1-28(2)29-17-19-30(20-18-29)40-42-43-41(46-40)31-21-23-34(24-22-31)44(32-11-5-3-6-12-32)35-25-26-39-37(27-35)36-15-9-10-16-38(36)45(39)33-13-7-4-8-14-33/h3-28H,1-2H3.
What are the key properties of N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine has a molecular weight of 596.73 g/mol, XLogP of 11.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 58903539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).