9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine

C58H41NO — CID 156524804

IUPAC9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3cccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)ccc21
InChIInChI=1S/C58H41NO/c1-57(2)51-31-14-15-33-54(51)60-55-37-41(34-35-52(55)57)59(39-19-4-3-5-20-39)40-21-16-18-38(36-40)42-22-6-7-23-43(42)46-27-17-32-53-56(46)47-26-10-13-30-50(47)58(53)48-28-11-8-24-44(48)45-25-9-12-29-49(45)58/h3-37H,1-2H3
InChIKeyVRGPXFOMQLWEOZ-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.27
Rot. Bonds5

About 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine

9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine (PubChem CID 156524804) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine
PubChem CID156524804
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC Name9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3cccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)ccc21
InChIInChI=1S/C58H41NO/c1-57(2)51-31-14-15-33-54(51)60-55-37-41(34-35-52(55)57)59(39-19-4-3-5-20-39)40-21-16-18-38(36-40)42-22-6-7-23-43(42)46-27-17-32-53-56(46)47-26-10-13-30-50(47)58(53)48-28-11-8-24-44(48)45-25-9-12-29-49(45)58/h3-37H,1-2H3
InChIKeyVRGPXFOMQLWEOZ-UHFFFAOYSA-N
XLogP15.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476259
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477053
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine
CID 166679206
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476242
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164793870
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582113
CID 118153657
CID 118153657
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine (CID 156524804) is 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine is CC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3cccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine?
The InChIKey is VRGPXFOMQLWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)51-31-14-15-33-54(51)60-55-37-41(34-35-52(55)57)59(39-19-4-3-5-20-39)40-21-16-18-38(36-40)42-22-6-7-23-43(42)46-27-17-32-53-56(46)47-26-10-13-30-50(47)58(53)48-28-11-8-24-44(48)45-25-9-12-29-49(45)58/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine?
9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine has a molecular weight of 767.97 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine is sourced from PubChem (CID 156524804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).