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

C58H38N4O — CID 59499409

IUPACN-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
SMILESc1ccc(-c2noc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7cccc8ccccc78)cc6c6cc(-c7cccc8ccccc78)ccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C58H38N4O/c1-3-15-41(16-4-1)57-59-58(63-60-57)42-25-29-46(30-26-42)61(45-19-5-2-6-20-45)47-31-33-48(34-32-47)62-55-35-27-43(51-23-11-17-39-13-7-9-21-49(39)51)37-53(55)54-38-44(28-36-56(54)62)52-24-12-18-40-14-8-10-22-50(40)52/h1-38H
InChIKeyYYNAWVQRIBQYPY-UHFFFAOYSA-N
MW806.97 g/mol
LogP15.61
Rot. Bonds8

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

N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 59499409) has the molecular formula C58H38N4O and a molecular weight of 806.97 g/mol. Its IUPAC name is N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID59499409
Molecular FormulaC58H38N4O
Molecular Weight806.97 g/mol
Exact Mass806.30
IUPAC NameN-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
SMILESc1ccc(-c2noc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7cccc8ccccc78)cc6c6cc(-c7cccc8ccccc78)ccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C58H38N4O/c1-3-15-41(16-4-1)57-59-58(63-60-57)42-25-29-46(30-26-42)61(45-19-5-2-6-20-45)47-31-33-48(34-32-47)62-55-35-27-43(51-23-11-17-39-13-7-9-21-49(39)51)37-53(55)54-38-44(28-36-56(54)62)52-24-12-18-40-14-8-10-22-50(40)52/h1-38H
InChIKeyYYNAWVQRIBQYPY-UHFFFAOYSA-N
XLogP15.61
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499412
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 59499419
5-[4-[3-(3-naphthalen-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole;5-[4-[3-(3-naphthalen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole;3-phenyl-5-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-1,2,4-oxadiazole
CID 159091440
N,N-diphenyl-9-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]carbazol-3-amine
CID 130354199
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 59499440
5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
CID 59499367
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline
CID 59499443
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589
4-(6,9-diphenylcarbazol-3-yl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;N-[4-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;4-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158158334
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
4-[9-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]carbazol-3-yl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 130397476

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline (CID 59499409) is N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline is c1ccc(-c2noc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccc(-c7cccc8ccccc78)cc6c6cc(-c7cccc8ccccc78)ccc65)cc4)cc3)n2)cc1.
What is the InChIKey of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is YYNAWVQRIBQYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4O/c1-3-15-41(16-4-1)57-59-58(63-60-57)42-25-29-46(30-26-42)61(45-19-5-2-6-20-45)47-31-33-48(34-32-47)62-55-35-27-43(51-23-11-17-39-13-7-9-21-49(39)51)37-53(55)54-38-44(28-36-56(54)62)52-24-12-18-40-14-8-10-22-50(40)52/h1-38H.
What are the key properties of N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 806.97 g/mol, XLogP of 15.61, 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-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 59499409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).