N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine

C40H30N2O — CID 168731471

IUPACN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc(-c5ccccc5)nc4c3)cc21
InChIInChI=1S/C40H30N2O/c1-40(2)35-19-10-9-18-33(35)34-22-20-31(25-36(34)40)42(30-17-11-16-29(24-30)27-12-5-3-6-13-27)32-21-23-38-37(26-32)41-39(43-38)28-14-7-4-8-15-28/h3-26H,1-2H3
InChIKeyLIZIKXCLOIETQE-UHFFFAOYSA-N
MW554.69 g/mol
LogP10.94
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 168731471) has the molecular formula C40H30N2O and a molecular weight of 554.69 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
PubChem CID168731471
Molecular FormulaC40H30N2O
Molecular Weight554.69 g/mol
Exact Mass554.24
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc(-c5ccccc5)nc4c3)cc21
InChIInChI=1S/C40H30N2O/c1-40(2)35-19-10-9-18-33(35)34-22-20-31(25-36(34)40)42(30-17-11-16-29(24-30)27-12-5-3-6-13-27)32-21-23-38-37(26-32)41-39(43-38)28-14-7-4-8-15-28/h3-26H,1-2H3
InChIKeyLIZIKXCLOIETQE-UHFFFAOYSA-N
XLogP10.94
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)anilino]phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 155473483
2-N,7-N-bis[3-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473375
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-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177082126
9,9-dimethyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 167128842
N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128802
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,3-benzoxazol-5-amine
CID 168731397
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
7-[4-[4-(1,3-benzoxazol-2-yl)-N-(3-naphthalen-1-ylphenyl)anilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 155473489
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine (CID 168731471) is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4oc(-c5ccccc5)nc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is LIZIKXCLOIETQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2O/c1-40(2)35-19-10-9-18-33(35)34-22-20-31(25-36(34)40)42(30-17-11-16-29(24-30)27-12-5-3-6-13-27)32-21-23-38-37(26-32)41-39(43-38)28-14-7-4-8-15-28/h3-26H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine?
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 554.69 g/mol, XLogP of 10.94, 5 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)-2-phenyl-N-(3-phenylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 168731471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).