N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline

C39H28N4O — CID 58903528

IUPACN-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline
SMILESCc1cccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)c1
InChIInChI=1S/C39H28N4O/c1-27-10-9-11-29(26-27)39-41-40-38(44-39)28-18-20-31(21-19-28)42(30-12-3-2-4-13-30)32-22-24-33(25-23-32)43-36-16-7-5-14-34(36)35-15-6-8-17-37(35)43/h2-26H,1H3
InChIKeyAPANVOZAVDGITE-UHFFFAOYSA-N
MW568.68 g/mol
LogP10.28
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline

N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline (PubChem CID 58903528) has the molecular formula C39H28N4O and a molecular weight of 568.68 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline
PubChem CID58903528
Molecular FormulaC39H28N4O
Molecular Weight568.68 g/mol
Exact Mass568.23
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline
SMILESCc1cccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)c1
InChIInChI=1S/C39H28N4O/c1-27-10-9-11-29(26-27)39-41-40-38(44-39)28-18-20-31(21-19-28)42(30-12-3-2-4-13-30)32-22-24-33(25-23-32)43-36-16-7-5-14-34(36)35-15-6-8-17-37(35)43/h2-26H,1H3
InChIKeyAPANVOZAVDGITE-UHFFFAOYSA-N
XLogP10.28
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline (CID 58903528) is N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline is Cc1cccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline?
The InChIKey is APANVOZAVDGITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4O/c1-27-10-9-11-29(26-27)39-41-40-38(44-39)28-18-20-31(21-19-28)42(30-12-3-2-4-13-30)32-22-24-33(25-23-32)43-36-16-7-5-14-34(36)35-15-6-8-17-37(35)43/h2-26H,1H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline has a molecular weight of 568.68 g/mol, XLogP of 10.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline is sourced from PubChem (CID 58903528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).