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

C50H34N4O — CID 58903573

IUPACN-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)cc1
InChIInChI=1S/C50H34N4O/c1-5-13-35(14-6-1)39-23-31-47-45(33-39)46-34-40(36-15-7-2-8-16-36)24-32-48(46)54(47)44-29-27-43(28-30-44)53(41-19-11-4-12-20-41)42-25-21-38(22-26-42)50-52-51-49(55-50)37-17-9-3-10-18-37/h1-34H
InChIKeyGQVJKFDIZKNYKN-UHFFFAOYSA-N
MW706.85 g/mol
LogP13.30
Rot. Bonds8

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

N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 58903573) has the molecular formula C50H34N4O and a molecular weight of 706.85 g/mol. Its IUPAC name is N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID58903573
Molecular FormulaC50H34N4O
Molecular Weight706.85 g/mol
Exact Mass706.27
IUPAC NameN-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)cc1
InChIInChI=1S/C50H34N4O/c1-5-13-35(14-6-1)39-23-31-47-45(33-39)46-34-40(36-15-7-2-8-16-36)24-32-48(46)54(47)44-29-27-43(28-30-44)53(41-19-11-4-12-20-41)42-25-21-38(22-26-42)50-52-51-49(55-50)37-17-9-3-10-18-37/h1-34H
InChIKeyGQVJKFDIZKNYKN-UHFFFAOYSA-N
XLogP13.30
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 513.30
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-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 58903573) is N-[4-(3,6-diphenylcarbazol-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-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is GQVJKFDIZKNYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O/c1-5-13-35(14-6-1)39-23-31-47-45(33-39)46-34-40(36-15-7-2-8-16-36)24-32-48(46)54(47)44-29-27-43(28-30-44)53(41-19-11-4-12-20-41)42-25-21-38(22-26-42)50-52-51-49(55-50)37-17-9-3-10-18-37/h1-34H.
What are the key properties of N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 706.85 g/mol, XLogP of 13.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 58903573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).