N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine

C46H32N2O2 — CID 168731488

IUPACN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccc(-c6ccccc6)cc5)oc4c3)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C46H32N2O2/c1-46(2)38-16-8-6-13-34(38)35-25-23-32(27-39(35)46)48(41-17-10-15-37-36-14-7-9-18-42(36)49-44(37)41)33-24-26-40-43(28-33)50-45(47-40)31-21-19-30(20-22-31)29-11-4-3-5-12-29/h3-28H,1-2H3
InChIKeyBLFNFUWARVQFQM-UHFFFAOYSA-N
MW644.77 g/mol
LogP12.84
Rot. Bonds5

About N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine (PubChem CID 168731488) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
PubChem CID168731488
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC NameN-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccc(-c6ccccc6)cc5)oc4c3)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C46H32N2O2/c1-46(2)38-16-8-6-13-34(38)35-25-23-32(27-39(35)46)48(41-17-10-15-37-36-14-7-9-18-42(36)49-44(37)41)33-24-26-40-43(28-33)50-45(47-40)31-21-19-30(20-22-31)29-11-4-3-5-12-29/h3-28H,1-2H3
InChIKeyBLFNFUWARVQFQM-UHFFFAOYSA-N
XLogP12.84
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731432
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 163850631
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177081651
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170383733
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
9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 171754874
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3-benzoxazol-6-amine
CID 168731546
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158931767
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N,N-bis(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096041
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine (CID 168731488) is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccc(-c6ccccc6)cc5)oc4c3)c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine?
The InChIKey is BLFNFUWARVQFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-46(2)38-16-8-6-13-34(38)35-25-23-32(27-39(35)46)48(41-17-10-15-37-36-14-7-9-18-42(36)49-44(37)41)33-24-26-40-43(28-33)50-45(47-40)31-21-19-30(20-22-31)29-11-4-3-5-12-29/h3-28H,1-2H3.
What are the key properties of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine?
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine has a molecular weight of 644.77 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 168731488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).