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

C75H50N4O2 — CID 155473478

IUPAC2-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C75H50N4O2/c1-5-17-51(18-6-1)53-29-37-59(38-30-53)78(61-41-33-55(34-42-61)73-76-69-25-13-15-27-71(69)80-73)63-45-47-65-66-48-46-64(50-68(66)75(67(65)49-63,57-21-9-3-10-22-57)58-23-11-4-12-24-58)79(60-39-31-54(32-40-60)52-19-7-2-8-20-52)62-43-35-56(36-44-62)74-77-70-26-14-16-28-72(70)81-74/h1-50H
InChIKeyZQXSFYZCBLMGKL-UHFFFAOYSA-N
MW1039.25 g/mol
LogP19.94
Rot. Bonds12

About 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

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 (PubChem CID 155473478) has the molecular formula C75H50N4O2 and a molecular weight of 1039.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID155473478
Molecular FormulaC75H50N4O2
Molecular Weight1039.25 g/mol
Exact Mass1038.39
IUPAC Name2-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C75H50N4O2/c1-5-17-51(18-6-1)53-29-37-59(38-30-53)78(61-41-33-55(34-42-61)73-76-69-25-13-15-27-71(69)80-73)63-45-47-65-66-48-46-64(50-68(66)75(67(65)49-63,57-21-9-3-10-22-57)58-23-11-4-12-24-58)79(60-39-31-54(32-40-60)52-19-7-2-8-20-52)62-43-35-56(36-44-62)74-77-70-26-14-16-28-72(70)81-74/h1-50H
InChIKeyZQXSFYZCBLMGKL-UHFFFAOYSA-N
XLogP19.94
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.25
LogP ≤ 519.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731450
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
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-[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
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731706
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 174262107
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-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-3,6-ditert-butyl-9,9'-spirobi[fluorene]-2'-amine
CID 176587432
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142609784

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc3-4)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZQXSFYZCBLMGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N4O2/c1-5-17-51(18-6-1)53-29-37-59(38-30-53)78(61-41-33-55(34-42-61)73-76-69-25-13-15-27-71(69)80-73)63-45-47-65-66-48-46-64(50-68(66)75(67(65)49-63,57-21-9-3-10-22-57)58-23-11-4-12-24-58)79(60-39-31-54(32-40-60)52-19-7-2-8-20-52)62-43-35-56(36-44-62)74-77-70-26-14-16-28-72(70)81-74/h1-50H.
What are the key properties of 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?
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 has a molecular weight of 1039.25 g/mol, XLogP of 19.94, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155473478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).