N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

C40H30N4O — CID 58903610

IUPACN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C40H30N4O/c1-27-13-23-37-35(25-27)36-26-28(2)14-24-38(36)44(37)34-21-19-33(20-22-34)43(31-11-7-4-8-12-31)32-17-15-30(16-18-32)40-42-41-39(45-40)29-9-5-3-6-10-29/h3-26H,1-2H3
InChIKeyWHJWMMAGGIWQPQ-UHFFFAOYSA-N
MW582.71 g/mol
LogP10.59
Rot. Bonds6

About N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 58903610) has the molecular formula C40H30N4O and a molecular weight of 582.71 g/mol. Its IUPAC name is N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID58903610
Molecular FormulaC40H30N4O
Molecular Weight582.71 g/mol
Exact Mass582.24
IUPAC NameN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C40H30N4O/c1-27-13-23-37-35(25-27)36-26-28(2)14-24-38(36)44(37)34-21-19-33(20-22-34)43(31-11-7-4-8-12-31)32-17-15-30(16-18-32)40-42-41-39(45-40)29-9-5-3-6-10-29/h3-26H,1-2H3
InChIKeyWHJWMMAGGIWQPQ-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-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 58903610) is N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is WHJWMMAGGIWQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O/c1-27-13-23-37-35(25-27)36-26-28(2)14-24-38(36)44(37)34-21-19-33(20-22-34)43(31-11-7-4-8-12-31)32-17-15-30(16-18-32)40-42-41-39(45-40)29-9-5-3-6-10-29/h3-26H,1-2H3.
What are the key properties of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline 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-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 58903610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).