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

C46H34N2O — CID 168731432

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccc(-c6ccccc6)cc5)oc4c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C46H34N2O/c1-46(2)40-19-11-9-18-38(40)39-27-25-35(29-41(39)46)48(43-20-12-10-17-37(43)33-15-7-4-8-16-33)36-26-28-42-44(30-36)49-45(47-42)34-23-21-32(22-24-34)31-13-5-3-6-14-31/h3-30H,1-2H3
InChIKeyVOUCILRTKCXJOG-UHFFFAOYSA-N
MW630.79 g/mol
LogP12.60
Rot. Bonds6

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

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine (PubChem CID 168731432) has the molecular formula C46H34N2O and a molecular weight of 630.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
PubChem CID168731432
Molecular FormulaC46H34N2O
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccc(-c6ccccc6)cc5)oc4c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C46H34N2O/c1-46(2)40-19-11-9-18-38(40)39-27-25-35(29-41(39)46)48(43-20-12-10-17-37(43)33-15-7-4-8-16-33)36-26-28-42-44(30-36)49-45(47-42)34-23-21-32(22-24-34)31-13-5-3-6-14-31/h3-30H,1-2H3
InChIKeyVOUCILRTKCXJOG-UHFFFAOYSA-N
XLogP12.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-6-amine
CID 163850631
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731488
9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 170776738
N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,3-benzoxazol-6-amine
CID 168731607
9,9-dimethyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 146581624
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3-benzoxazol-6-amine
CID 168731546
9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine
CID 146581867
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
N-[2-[4-(1,3-benzoxazol-2-yl)phenoxy]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171754663
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine (CID 168731432) is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4nc(-c5ccc(-c6ccccc6)cc5)oc4c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine?
The InChIKey is VOUCILRTKCXJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O/c1-46(2)40-19-11-9-18-38(40)39-27-25-35(29-41(39)46)48(43-20-12-10-17-37(43)33-15-7-4-8-16-33)36-26-28-42-44(30-36)49-45(47-42)34-23-21-32(22-24-34)31-13-5-3-6-14-31/h3-30H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine has a molecular weight of 630.79 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 168731432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).