N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine

C69H44N2O — CID 168731622

IUPACN-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4o3)cc2)cc1
InChIInChI=1S/C69H44N2O/c1-4-18-45(19-5-1)46-32-34-47(35-33-46)67-70-65-44-52(38-41-66(65)72-67)71(50-36-39-57-55-26-10-14-28-59(55)68(63(57)42-50,48-20-6-2-7-21-48)49-22-8-3-9-23-49)51-37-40-58-56-27-13-17-31-62(56)69(64(58)43-51)60-29-15-11-24-53(60)54-25-12-16-30-61(54)69/h1-44H
InChIKeyPFZCFVAQURBLFZ-UHFFFAOYSA-N
MW917.12 g/mol
LogP17.34
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine

N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine (PubChem CID 168731622) has the molecular formula C69H44N2O and a molecular weight of 917.12 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
PubChem CID168731622
Molecular FormulaC69H44N2O
Molecular Weight917.12 g/mol
Exact Mass916.35
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4o3)cc2)cc1
InChIInChI=1S/C69H44N2O/c1-4-18-45(19-5-1)46-32-34-47(35-33-46)67-70-65-44-52(38-41-66(65)72-67)71(50-36-39-57-55-26-10-14-28-59(55)68(63(57)42-50,48-20-6-2-7-21-48)49-22-8-3-9-23-49)51-37-40-58-56-27-13-17-31-62(56)69(64(58)43-51)60-29-15-11-24-53(60)54-25-12-16-30-61(54)69/h1-44H
InChIKeyPFZCFVAQURBLFZ-UHFFFAOYSA-N
XLogP17.34
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.12
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448
N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731706
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 155473478
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731450
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
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-(3-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731471
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
2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole
CID 171048416
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine (CID 168731622) is N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine is c1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4o3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine?
The InChIKey is PFZCFVAQURBLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2O/c1-4-18-45(19-5-1)46-32-34-47(35-33-46)67-70-65-44-52(38-41-66(65)72-67)71(50-36-39-57-55-26-10-14-28-59(55)68(63(57)42-50,48-20-6-2-7-21-48)49-22-8-3-9-23-49)51-37-40-58-56-27-13-17-31-62(56)69(64(58)43-51)60-29-15-11-24-53(60)54-25-12-16-30-61(54)69/h1-44H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine?
N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine has a molecular weight of 917.12 g/mol, XLogP of 17.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 168731622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).