N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine

C40H30N4O — CID 58903750

IUPACN-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESCc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)c(C)c1
InChIInChI=1S/C40H30N4O/c1-27-17-23-34(28(2)25-27)40-42-41-39(45-40)29-18-20-32(21-19-29)43(30-11-5-3-6-12-30)33-22-24-38-36(26-33)35-15-9-10-16-37(35)44(38)31-13-7-4-8-14-31/h3-26H,1-2H3
InChIKeyJPIDDUUNSWZODL-UHFFFAOYSA-N
MW582.71 g/mol
LogP10.59
Rot. Bonds6

About N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 58903750) has the molecular formula C40H30N4O and a molecular weight of 582.71 g/mol. Its IUPAC name is N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID58903750
Molecular FormulaC40H30N4O
Molecular Weight582.71 g/mol
Exact Mass582.24
IUPAC NameN-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESCc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)c(C)c1
InChIInChI=1S/C40H30N4O/c1-27-17-23-34(28(2)25-27)40-42-41-39(45-40)29-18-20-32(21-19-29)43(30-11-5-3-6-12-30)33-22-24-38-36(26-33)35-15-9-10-16-37(35)44(38)31-13-7-4-8-14-31/h3-26H,1-2H3
InChIKeyJPIDDUUNSWZODL-UHFFFAOYSA-N
XLogP10.59
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 58903750) is N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine is Cc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)c(C)c1.
What is the InChIKey of N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is JPIDDUUNSWZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O/c1-27-17-23-34(28(2)25-27)40-42-41-39(45-40)29-18-20-32(21-19-29)43(30-11-5-3-6-12-30)33-22-24-38-36(26-33)35-15-9-10-16-37(35)44(38)31-13-7-4-8-14-31/h3-26H,1-2H3.
What are the key properties of N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 582.71 g/mol, XLogP of 10.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 58903750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).