N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine

C68H44N2O2 — CID 168731706

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4o3)cc2)cc1
InChIInChI=1S/C68H44N2O2/c1-5-17-45(18-6-1)46-31-33-49(34-32-46)67-69-63-44-54(40-42-64(63)71-67)70(52-37-35-48(36-38-52)56-27-16-29-60-59-28-15-26-55(65(59)72-66(56)60)47-19-7-2-8-20-47)53-39-41-58-57-25-13-14-30-61(57)68(62(58)43-53,50-21-9-3-10-22-50)51-23-11-4-12-24-51/h1-44H
InChIKeyVXHBGWQCYCZPGB-UHFFFAOYSA-N
MW921.11 g/mol
LogP18.23
Rot. Bonds9

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 168731706) has the molecular formula C68H44N2O2 and a molecular weight of 921.11 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
PubChem CID168731706
Molecular FormulaC68H44N2O2
Molecular Weight921.11 g/mol
Exact Mass920.34
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
SMILESc1ccc(-c2ccc(-c3nc4cc(N(c5ccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4o3)cc2)cc1
InChIInChI=1S/C68H44N2O2/c1-5-17-45(18-6-1)46-31-33-49(34-32-46)67-69-63-44-54(40-42-64(63)71-67)70(52-37-35-48(36-38-52)56-27-16-29-60-59-28-15-26-55(65(59)72-66(56)60)47-19-7-2-8-20-47)53-39-41-58-57-25-13-14-30-61(57)68(62(58)43-53,50-21-9-3-10-22-50)51-23-11-4-12-24-51/h1-44H
InChIKeyVXHBGWQCYCZPGB-UHFFFAOYSA-N
XLogP18.23
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.11
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
CID 168731622
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
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731450
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731714
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine (CID 168731706) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine is c1ccc(-c2ccc(-c3nc4cc(N(c5ccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4o3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is VXHBGWQCYCZPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O2/c1-5-17-45(18-6-1)46-31-33-49(34-32-46)67-69-63-44-54(40-42-64(63)71-67)70(52-37-35-48(36-38-52)56-27-16-29-60-59-28-15-26-55(65(59)72-66(56)60)47-19-7-2-8-20-47)53-39-41-58-57-25-13-14-30-61(57)68(62(58)43-53,50-21-9-3-10-22-50)51-23-11-4-12-24-51/h1-44H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 921.11 g/mol, XLogP of 18.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 168731706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).