N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)

C50H58N4O — CID 163577880

IUPACN,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)
SMILESCC.CC.CC.CC1=Nc2ccccc2C1.CC1=Nc2ccccc2C1.Cc1nc2ccccc2o1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.2C9H9N.C8H7NO.3C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6;3*1-2/h1-15H;2*2-5H,6H2,1H3;2-5H,1H3;3*1-2H3
InChIKeyGFBRDCKMQXYPOY-UHFFFAOYSA-N
MW731.04 g/mol
LogP15.04
Rot. Bonds3

About N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)

N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole) (PubChem CID 163577880) has the molecular formula C50H58N4O and a molecular weight of 731.04 g/mol. Its IUPAC name is N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole).

Molecular Properties

Compound NameN,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)
PubChem CID163577880
Molecular FormulaC50H58N4O
Molecular Weight731.04 g/mol
Exact Mass730.46
IUPAC NameN,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)
SMILESCC.CC.CC.CC1=Nc2ccccc2C1.CC1=Nc2ccccc2C1.Cc1nc2ccccc2o1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.2C9H9N.C8H7NO.3C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6;3*1-2/h1-15H;2*2-5H,6H2,1H3;2-5H,1H3;3*1-2H3
InChIKeyGFBRDCKMQXYPOY-UHFFFAOYSA-N
XLogP15.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.04
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
acetic acid;2-methyl-3H-indole
CID 123241059
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N,N-diphenyl-1,3-benzoxazol-2-amine
CID 101462195
2-methyl-1,3-benzoxazole;prop-1-ene
CID 178101004
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 20692325
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 155473406
1-(1,3-benzoxazol-2-yl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 74005289
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)?
The IUPAC name of N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole) (CID 163577880) is N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole).
What is the SMILES notation for N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)?
The canonical SMILES for N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole) is CC.CC.CC.CC1=Nc2ccccc2C1.CC1=Nc2ccccc2C1.Cc1nc2ccccc2o1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)?
The InChIKey is GFBRDCKMQXYPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.2C9H9N.C8H7NO.3C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6;3*1-2/h1-15H;2*2-5H,6H2,1H3;2-5H,1H3;3*1-2H3.
What are the key properties of N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)?
N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole) has a molecular weight of 731.04 g/mol, XLogP of 15.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole) is sourced from PubChem (CID 163577880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).