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

C54H36N4O — CID 59489386

IUPAC4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)o2)cc1
InChIInChI=1S/C54H36N4O/c1-3-12-40(13-4-1)53-55-56-54(59-53)41-25-32-48(33-26-41)57(46-28-21-38(22-29-46)43-20-19-37-11-7-8-14-42(37)35-43)47-30-23-39(24-31-47)44-27-34-52-50(36-44)49-17-9-10-18-51(49)58(52)45-15-5-2-6-16-45/h1-36H
InChIKeyOGAQKWRLHQQGAG-UHFFFAOYSA-N
MW756.91 g/mol
LogP14.46
Rot. Bonds8

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

4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline (PubChem CID 59489386) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
PubChem CID59489386
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)o2)cc1
InChIInChI=1S/C54H36N4O/c1-3-12-40(13-4-1)53-55-56-54(59-53)41-25-32-48(33-26-41)57(46-28-21-38(22-29-46)43-20-19-37-11-7-8-14-42(37)35-43)47-30-23-39(24-31-47)44-27-34-52-50(36-44)49-17-9-10-18-51(49)58(52)45-15-5-2-6-16-45/h1-36H
InChIKeyOGAQKWRLHQQGAG-UHFFFAOYSA-N
XLogP14.46
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59489332
2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500817
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 59445214
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?
The IUPAC name of 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) is 4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline is c1ccc(-c2nnc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)o2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?
The InChIKey is OGAQKWRLHQQGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-3-12-40(13-4-1)53-55-56-54(59-53)41-25-32-48(33-26-41)57(46-28-21-38(22-29-46)43-20-19-37-11-7-8-14-42(37)35-43)47-30-23-39(24-31-47)44-27-34-52-50(36-44)49-17-9-10-18-51(49)58(52)45-15-5-2-6-16-45/h1-36H.
What are the key properties of 4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?
4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline has a molecular weight of 756.91 g/mol, XLogP of 14.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline is sourced from PubChem (CID 59489386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).