N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline

C34H26N2O — CID 166918145

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3Nc3ccc(-c4nc5ccccc5o4)cc3)ccc21
InChIInChI=1S/C34H26N2O/c1-34(2)28-11-5-3-10-26(28)27-21-23(17-20-29(27)34)25-9-4-6-12-30(25)35-24-18-15-22(16-19-24)33-36-31-13-7-8-14-32(31)37-33/h3-21,35H,1-2H3
InChIKeyGRYMEJRSCIZGST-UHFFFAOYSA-N
MW478.60 g/mol
LogP9.21
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline (PubChem CID 166918145) has the molecular formula C34H26N2O and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline
PubChem CID166918145
Molecular FormulaC34H26N2O
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3Nc3ccc(-c4nc5ccccc5o4)cc3)ccc21
InChIInChI=1S/C34H26N2O/c1-34(2)28-11-5-3-10-26(28)27-21-23(17-20-29(27)34)25-9-4-6-12-30(25)35-24-18-15-22(16-19-24)33-36-31-13-7-8-14-32(31)37-33/h3-21,35H,1-2H3
InChIKeyGRYMEJRSCIZGST-UHFFFAOYSA-N
XLogP9.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 70829972
2-[3-(1,3-benzoxazol-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1,3-benzoxazole
CID 164803998
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
2-[3-(1,3-benzoxazol-2-yl)-5-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803799
2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole
CID 155366299
3-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)benzene-1,2-dicarbonitrile
CID 164803831
2-(5,5,15,15,25,25-hexamethyl-22-phenyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl)-1,3-benzoxazole
CID 59413426
2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
CID 67888489
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9-methyl-9-phenylfluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803807
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
2-[14-(1,3-benzoxazol-2-yl)-10,10-dimethyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]-1,3-benzoxazole
CID 58411806

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline (CID 166918145) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline is CC1(C)c2ccccc2-c2cc(-c3ccccc3Nc3ccc(-c4nc5ccccc5o4)cc3)ccc21.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline?
The InChIKey is GRYMEJRSCIZGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O/c1-34(2)28-11-5-3-10-26(28)27-21-23(17-20-29(27)34)25-9-4-6-12-30(25)35-24-18-15-22(16-19-24)33-36-31-13-7-8-14-32(31)37-33/h3-21,35H,1-2H3.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline has a molecular weight of 478.60 g/mol, XLogP of 9.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(9,9-dimethylfluoren-3-yl)aniline is sourced from PubChem (CID 166918145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).