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

C50H34N4O — CID 59499419

IUPACN-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3cccc(-c4nc(-c5ccccc5)no4)c3)cc2)cc1
InChIInChI=1S/C50H34N4O/c1-5-14-35(15-6-1)38-24-30-47-45(33-38)46-34-39(36-16-7-2-8-17-36)25-31-48(46)54(47)43-28-26-42(27-29-43)53(41-21-11-4-12-22-41)44-23-13-20-40(32-44)50-51-49(52-55-50)37-18-9-3-10-19-37/h1-34H
InChIKeyZJULBWJUAAVFGW-UHFFFAOYSA-N
MW706.85 g/mol
LogP13.30
Rot. Bonds8

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

N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 59499419) 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-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID59499419
Molecular FormulaC50H34N4O
Molecular Weight706.85 g/mol
Exact Mass706.27
IUPAC NameN-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3cccc(-c4nc(-c5ccccc5)no4)c3)cc2)cc1
InChIInChI=1S/C50H34N4O/c1-5-14-35(15-6-1)38-24-30-47-45(33-38)46-34-39(36-16-7-2-8-17-36)25-31-48(46)54(47)43-28-26-42(27-29-43)53(41-21-11-4-12-22-41)44-23-13-20-40(32-44)50-51-49(52-55-50)37-18-9-3-10-19-37/h1-34H
InChIKeyZJULBWJUAAVFGW-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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Related Compounds

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
N-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-N-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 59499409
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-N,N-diphenylaniline
CID 88866654
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline
CID 129294355
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline
CID 59499443

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline (CID 59499419) is N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3cccc(-c4nc(-c5ccccc5)no4)c3)cc2)cc1.
What is the InChIKey of N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is ZJULBWJUAAVFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O/c1-5-14-35(15-6-1)38-24-30-47-45(33-38)46-34-39(36-16-7-2-8-17-36)25-31-48(46)54(47)43-28-26-42(27-29-43)53(41-21-11-4-12-22-41)44-23-13-20-40(32-44)50-51-49(52-55-50)37-18-9-3-10-19-37/h1-34H.
What are the key properties of N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-3-(3-phenyl-1,2,4-oxadiazol-5-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-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 59499419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).