N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C58H41N — CID 129266411

IUPACN-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc(-c3ccccc3)c21
InChIInChI=1S/C58H41N/c1-57(2)49-26-13-9-24-45(49)48-37-42(36-47(56(48)57)40-20-7-4-8-21-40)59(41-34-32-39(33-35-41)38-18-5-3-6-19-38)54-31-17-30-53-55(54)46-25-12-16-29-52(46)58(53)50-27-14-10-22-43(50)44-23-11-15-28-51(44)58/h3-37H,1-2H3
InChIKeyXFCBJAKPPVKTHT-UHFFFAOYSA-N
MW751.97 g/mol
LogP15.14
Rot. Bonds5

About N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 129266411) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID129266411
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc(-c3ccccc3)c21
InChIInChI=1S/C58H41N/c1-57(2)49-26-13-9-24-45(49)48-37-42(36-47(56(48)57)40-20-7-4-8-21-40)59(41-34-32-39(33-35-41)38-18-5-3-6-19-38)54-31-17-30-53-55(54)46-25-12-16-29-52(46)58(53)50-27-14-10-22-43(50)44-23-11-15-28-51(44)58/h3-37H,1-2H3
InChIKeyXFCBJAKPPVKTHT-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197134
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197127
9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 167196960
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 129266411) is N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc(-c3ccccc3)c21.
What is the InChIKey of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is XFCBJAKPPVKTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-57(2)49-26-13-9-24-45(49)48-37-42(36-47(56(48)57)40-20-7-4-8-21-40)59(41-34-32-39(33-35-41)38-18-5-3-6-19-38)54-31-17-30-53-55(54)46-25-12-16-29-52(46)58(53)50-27-14-10-22-43(50)44-23-11-15-28-51(44)58/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 751.97 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 129266411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).