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

C42H28N4O — CID 59499443

IUPACN-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3nc(-c4ccc5ccccc5c4)no3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C42H28N4O/c1-2-12-33(13-3-1)45(35-24-26-36(27-25-35)46-39-16-8-6-14-37(39)38-15-7-9-17-40(38)46)34-22-20-30(21-23-34)42-43-41(44-47-42)32-19-18-29-10-4-5-11-31(29)28-32/h1-28H
InChIKeyWSEYRNOLWNRCDD-UHFFFAOYSA-N
MW604.71 g/mol
LogP11.12
Rot. Bonds6

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

N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline (PubChem CID 59499443) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline
PubChem CID59499443
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3nc(-c4ccc5ccccc5c4)no3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C42H28N4O/c1-2-12-33(13-3-1)45(35-24-26-36(27-25-35)46-39-16-8-6-14-37(39)38-15-7-9-17-40(38)46)34-22-20-30(21-23-34)42-43-41(44-47-42)32-19-18-29-10-4-5-11-31(29)28-32/h1-28H
InChIKeyWSEYRNOLWNRCDD-UHFFFAOYSA-N
XLogP11.12
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 59499440
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N,N-diphenyl-9-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]carbazol-3-amine
CID 130354199
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 59499409
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 59499419
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
CID 59489386

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline (CID 59499443) is N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline is c1ccc(N(c2ccc(-c3nc(-c4ccc5ccccc5c4)no3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline?
The InChIKey is WSEYRNOLWNRCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-2-12-33(13-3-1)45(35-24-26-36(27-25-35)46-39-16-8-6-14-37(39)38-15-7-9-17-40(38)46)34-22-20-30(21-23-34)42-43-41(44-47-42)32-19-18-29-10-4-5-11-31(29)28-32/h1-28H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline has a molecular weight of 604.71 g/mol, XLogP of 11.12, 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-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline is sourced from PubChem (CID 59499443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).