6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine

C33H22N4O — CID 58480079

IUPAC6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3nc4ccccc4o3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C33H22N4O/c1-3-14-24(15-4-1)37(25-16-5-2-6-17-25)31-22-29(33-35-28-20-9-10-21-30(28)38-33)34-32(36-31)27-19-11-13-23-12-7-8-18-26(23)27/h1-22H
InChIKeyNEJREQKZAATJEW-UHFFFAOYSA-N
MW490.57 g/mol
LogP8.57
Rot. Bonds5

About 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine

6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine (PubChem CID 58480079) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine
PubChem CID58480079
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Name6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3nc4ccccc4o3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C33H22N4O/c1-3-14-24(15-4-1)37(25-16-5-2-6-17-25)31-22-29(33-35-28-20-9-10-21-30(28)38-33)34-32(36-31)27-19-11-13-23-12-7-8-18-26(23)27/h1-22H
InChIKeyNEJREQKZAATJEW-UHFFFAOYSA-N
XLogP8.57
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 160948340
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
CID 177082033
9-(1,3-benzoxazol-2-yl)-N,N-diphenyl-17-oxatricyclo[8.7.0.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-amine
CID 171755445
9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
CID 177081834
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 155473489
2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-1-yl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 130440894
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
9-(1,3-benzoxazol-2-yl)-N,N-diphenyldibenzothiophen-4-amine
CID 171754446
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine (CID 58480079) is 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine is c1ccc(N(c2ccccc2)c2cc(-c3nc4ccccc4o3)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine?
The InChIKey is NEJREQKZAATJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O/c1-3-14-24(15-4-1)37(25-16-5-2-6-17-25)31-22-29(33-35-28-20-9-10-21-30(28)38-33)34-32(36-31)27-19-11-13-23-12-7-8-18-26(23)27/h1-22H.
What are the key properties of 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine?
6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine has a molecular weight of 490.57 g/mol, XLogP of 8.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine is sourced from PubChem (CID 58480079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).