N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine

C69H46N2O — CID 168731448

IUPACN,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4o3)cc2)cc1
InChIInChI=1S/C69H46N2O/c1-6-20-47(21-7-1)48-34-36-49(37-35-48)67-70-65-46-56(40-43-66(65)72-67)71(54-38-41-59-57-30-16-18-32-61(57)68(63(59)44-54,50-22-8-2-9-23-50)51-24-10-3-11-25-51)55-39-42-60-58-31-17-19-33-62(58)69(64(60)45-55,52-26-12-4-13-27-52)53-28-14-5-15-29-53/h1-46H
InChIKeyZWXURBLSIYGHCM-UHFFFAOYSA-N
MW919.14 g/mol
LogP17.36
Rot. Bonds9

About N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine

N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 168731448) has the molecular formula C69H46N2O and a molecular weight of 919.14 g/mol. Its IUPAC name is N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
PubChem CID168731448
Molecular FormulaC69H46N2O
Molecular Weight919.14 g/mol
Exact Mass918.36
IUPAC NameN,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4o3)cc2)cc1
InChIInChI=1S/C69H46N2O/c1-6-20-47(21-7-1)48-34-36-49(37-35-48)67-70-65-46-56(40-43-66(65)72-67)71(54-38-41-59-57-30-16-18-32-61(57)68(63(59)44-54,50-22-8-2-9-23-50)51-24-10-3-11-25-51)55-39-42-60-58-31-17-19-33-62(58)69(64(60)45-55,52-26-12-4-13-27-52)53-28-14-5-15-29-53/h1-46H
InChIKeyZWXURBLSIYGHCM-UHFFFAOYSA-N
XLogP17.36
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
CID 168731622
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,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine (CID 168731448) is N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine is c1ccc(-c2ccc(-c3nc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4o3)cc2)cc1.
What is the InChIKey of N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is ZWXURBLSIYGHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2O/c1-6-20-47(21-7-1)48-34-36-49(37-35-48)67-70-65-46-56(40-43-66(65)72-67)71(54-38-41-59-57-30-16-18-32-61(57)68(63(59)44-54,50-22-8-2-9-23-50)51-24-10-3-11-25-51)55-39-42-60-58-31-17-19-33-62(58)69(64(60)45-55,52-26-12-4-13-27-52)53-28-14-5-15-29-53/h1-46H.
What are the key properties of N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 919.14 g/mol, XLogP of 17.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 168731448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).