9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine

C68H47NO — CID 90154251

IUPAC9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C68H47NO/c1-5-21-48(22-6-1)49-39-41-56(42-40-49)69(58-43-44-60-59-33-13-14-34-61(59)67(64(60)47-58,52-25-7-2-8-26-52)53-27-9-3-10-28-53)57-32-20-24-51(46-57)50-23-19-31-55(45-50)68(54-29-11-4-12-30-54)62-35-15-17-37-65(62)70-66-38-18-16-36-63(66)68/h1-47H
InChIKeyOZZVMOJIMYRNLD-UHFFFAOYSA-N
MW894.13 g/mol
LogP17.34
Rot. Bonds9

About 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine

9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 90154251) has the molecular formula C68H47NO and a molecular weight of 894.13 g/mol. Its IUPAC name is 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
PubChem CID90154251
Molecular FormulaC68H47NO
Molecular Weight894.13 g/mol
Exact Mass893.37
IUPAC Name9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C68H47NO/c1-5-21-48(22-6-1)49-39-41-56(42-40-49)69(58-43-44-60-59-33-13-14-34-61(59)67(64(60)47-58,52-25-7-2-8-26-52)53-27-9-3-10-28-53)57-32-20-24-51(46-57)50-23-19-31-55(45-50)68(54-29-11-4-12-30-54)62-35-15-17-37-65(62)70-66-38-18-16-36-63(66)68/h1-47H
InChIKeyOZZVMOJIMYRNLD-UHFFFAOYSA-N
XLogP17.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.13
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine (CID 90154251) is 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is OZZVMOJIMYRNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NO/c1-5-21-48(22-6-1)49-39-41-56(42-40-49)69(58-43-44-60-59-33-13-14-34-61(59)67(64(60)47-58,52-25-7-2-8-26-52)53-27-9-3-10-28-53)57-32-20-24-51(46-57)50-23-19-31-55(45-50)68(54-29-11-4-12-30-54)62-35-15-17-37-65(62)70-66-38-18-16-36-63(66)68/h1-47H.
What are the key properties of 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine?
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 894.13 g/mol, XLogP of 17.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 90154251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).