9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine

C49H36N2O2 — CID 171754874

IUPAC9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)cc21
InChIInChI=1S/C49H36N2O2/c1-48(2)37-17-7-5-13-31(37)33-25-23-29(27-39(33)48)51(30-24-26-34-32-14-6-8-18-38(32)49(3,4)40(34)28-30)42-20-11-15-35-45-36(16-12-22-44(45)52-46(35)42)47-50-41-19-9-10-21-43(41)53-47/h5-28H,1-4H3
InChIKeyIJUQAXFCXVDPMG-UHFFFAOYSA-N
MW684.84 g/mol
LogP13.48
Rot. Bonds4

About 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine

9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine (PubChem CID 171754874) has the molecular formula C49H36N2O2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
PubChem CID171754874
Molecular FormulaC49H36N2O2
Molecular Weight684.84 g/mol
Exact Mass684.28
IUPAC Name9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)cc21
InChIInChI=1S/C49H36N2O2/c1-48(2)37-17-7-5-13-31(37)33-25-23-29(27-39(33)48)51(30-24-26-34-32-14-6-8-18-38(32)49(3,4)40(34)28-30)42-20-11-15-35-45-36(16-12-22-44(45)52-46(35)42)47-50-41-19-9-10-21-43(41)53-47/h5-28H,1-4H3
InChIKeyIJUQAXFCXVDPMG-UHFFFAOYSA-N
XLogP13.48
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177081651
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731488
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177082126
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147691444
5-N,16-N-di(dibenzofuran-4-yl)-5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633431
5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 177081962
9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine
CID 177082329
8-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171755260

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine (CID 171754874) is 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)cc21.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The InChIKey is IJUQAXFCXVDPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2O2/c1-48(2)37-17-7-5-13-31(37)33-25-23-29(27-39(33)48)51(30-24-26-34-32-14-6-8-18-38(32)49(3,4)40(34)28-30)42-20-11-15-35-45-36(16-12-22-44(45)52-46(35)42)47-50-41-19-9-10-21-43(41)53-47/h5-28H,1-4H3.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine has a molecular weight of 684.84 g/mol, XLogP of 13.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 171754874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).