N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine

C55H43NO — CID 166679140

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
SMILESCC1(C)c2ccccc2Oc2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C55H43NO/c1-53(2)45-24-11-8-21-41(45)44-31-29-39(34-49(44)53)56(40-30-32-52-50(35-40)54(3,4)48-27-14-15-28-51(48)57-52)38-20-16-19-37(33-38)55(36-17-6-5-7-18-36)46-25-12-9-22-42(46)43-23-10-13-26-47(43)55/h5-35H,1-4H3
InChIKeySUNSKDMVRGOKQF-UHFFFAOYSA-N
MW733.96 g/mol
LogP14.26
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine (PubChem CID 166679140) has the molecular formula C55H43NO and a molecular weight of 733.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
PubChem CID166679140
Molecular FormulaC55H43NO
Molecular Weight733.96 g/mol
Exact Mass733.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
SMILESCC1(C)c2ccccc2Oc2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C55H43NO/c1-53(2)45-24-11-8-21-41(45)44-31-29-39(34-49(44)53)56(40-30-32-52-50(35-40)54(3,4)48-27-14-15-28-51(48)57-52)38-20-16-19-37(33-38)55(36-17-6-5-7-18-36)46-25-12-9-22-42(46)43-23-10-13-26-47(43)55/h5-35H,1-4H3
InChIKeySUNSKDMVRGOKQF-UHFFFAOYSA-N
XLogP14.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.96
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 146333571
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 177281251
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine (CID 166679140) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine is CC1(C)c2ccccc2Oc2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine?
The InChIKey is SUNSKDMVRGOKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43NO/c1-53(2)45-24-11-8-21-41(45)44-31-29-39(34-49(44)53)56(40-30-32-52-50(35-40)54(3,4)48-27-14-15-28-51(48)57-52)38-20-16-19-37(33-38)55(36-17-6-5-7-18-36)46-25-12-9-22-42(46)43-23-10-13-26-47(43)55/h5-35H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine has a molecular weight of 733.96 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine is sourced from PubChem (CID 166679140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).