9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine

C55H44N2 — CID 140589682

IUPAC9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine
SMILESCN(C)C1(c2cccc(C3(c4cccc(C5(N(C)C)c6ccccc6-c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C55H44N2/c1-56(2)54(49-31-13-7-25-43(49)44-26-8-14-32-50(44)54)39-21-17-19-37(35-39)53(47-29-11-5-23-41(47)42-24-6-12-30-48(42)53)38-20-18-22-40(36-38)55(57(3)4)51-33-15-9-27-45(51)46-28-10-16-34-52(46)55/h5-36H,1-4H3
InChIKeyYCRJIHRUYYHJPE-UHFFFAOYSA-N
MW732.97 g/mol
LogP11.72
Rot. Bonds6

About 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine

9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine (PubChem CID 140589682) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine.

Molecular Properties

Compound Name9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine
PubChem CID140589682
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC Name9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine
SMILESCN(C)C1(c2cccc(C3(c4cccc(C5(N(C)C)c6ccccc6-c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C55H44N2/c1-56(2)54(49-31-13-7-25-43(49)44-26-8-14-32-50(44)54)39-21-17-19-37(35-39)53(47-29-11-5-23-41(47)42-24-6-12-30-48(42)53)38-20-18-22-40(36-38)55(57(3)4)51-33-15-9-27-45(51)46-28-10-16-34-52(46)55/h5-36H,1-4H3
InChIKeyYCRJIHRUYYHJPE-UHFFFAOYSA-N
XLogP11.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
9,9-dimethylfluorene;tris(N,N-dimethylmethanamine);9,9-diphenylfluorene;ethane;tetrakis(9,9'-spirobi[fluorene])
CID 161352369
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472

Frequently Asked Questions

What is the IUPAC name of 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine?
The IUPAC name of 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine (CID 140589682) is 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine.
What is the SMILES notation for 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine?
The canonical SMILES for 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine is CN(C)C1(c2cccc(C3(c4cccc(C5(N(C)C)c6ccccc6-c6ccccc65)c4)c4ccccc4-c4ccccc43)c2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine?
The InChIKey is YCRJIHRUYYHJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-56(2)54(49-31-13-7-25-43(49)44-26-8-14-32-50(44)54)39-21-17-19-37(35-39)53(47-29-11-5-23-41(47)42-24-6-12-30-48(42)53)38-20-18-22-40(36-38)55(57(3)4)51-33-15-9-27-45(51)46-28-10-16-34-52(46)55/h5-36H,1-4H3.
What are the key properties of 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine?
9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine has a molecular weight of 732.97 g/mol, XLogP of 11.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine is sourced from PubChem (CID 140589682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).