N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline

C48H30N6O2 — CID 174347611

IUPACN-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nc5cccnc5o4)cc3)cc2)c2ccc(-c3nc4cccnc4o3)cc2)cc1
InChIInChI=1S/C48H30N6O2/c1-2-8-35(9-3-1)53(37-23-16-32(17-24-37)45-51-41-11-6-28-49-47(41)55-45)36-21-14-31(15-22-36)34-20-27-44-40(30-34)39-10-4-5-13-43(39)54(44)38-25-18-33(19-26-38)46-52-42-12-7-29-50-48(42)56-46/h1-30H
InChIKeyDORSXFVSIVIBGD-UHFFFAOYSA-N
MW722.81 g/mol
LogP12.33
Rot. Bonds7

About N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline

N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline (PubChem CID 174347611) has the molecular formula C48H30N6O2 and a molecular weight of 722.81 g/mol. Its IUPAC name is N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline
PubChem CID174347611
Molecular FormulaC48H30N6O2
Molecular Weight722.81 g/mol
Exact Mass722.24
IUPAC NameN-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nc5cccnc5o4)cc3)cc2)c2ccc(-c3nc4cccnc4o3)cc2)cc1
InChIInChI=1S/C48H30N6O2/c1-2-8-35(9-3-1)53(37-23-16-32(17-24-37)45-51-41-11-6-28-49-47(41)55-45)36-21-14-31(15-22-36)34-20-27-44-40(30-34)39-10-4-5-13-43(39)54(44)38-25-18-33(19-26-38)46-52-42-12-7-29-50-48(42)56-46/h1-30H
InChIKeyDORSXFVSIVIBGD-UHFFFAOYSA-N
XLogP12.33
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.81
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline with MolForge

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Related Compounds

4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 126585578
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
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N,N-diphenyl-4-[9-(4-quinoxalin-2-ylphenyl)carbazol-3-yl]aniline
CID 135252509
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]oxazolo[5,4-c]pyridine;9-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]oxazolo[5,4-c]pyridine
CID 161203171
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795

Frequently Asked Questions

What is the IUPAC name of N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline?
The IUPAC name of N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline (CID 174347611) is N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline.
What is the SMILES notation for N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline?
The canonical SMILES for N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nc5cccnc5o4)cc3)cc2)c2ccc(-c3nc4cccnc4o3)cc2)cc1.
What is the InChIKey of N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline?
The InChIKey is DORSXFVSIVIBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O2/c1-2-8-35(9-3-1)53(37-23-16-32(17-24-37)45-51-41-11-6-28-49-47(41)55-45)36-21-14-31(15-22-36)34-20-27-44-40(30-34)39-10-4-5-13-43(39)54(44)38-25-18-33(19-26-38)46-52-42-12-7-29-50-48(42)56-46/h1-30H.
What are the key properties of N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline?
N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline has a molecular weight of 722.81 g/mol, XLogP of 12.33, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline is sourced from PubChem (CID 174347611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).