N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine

C64H45N — CID 166133567

IUPACN-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine
SMILESCc1ccc(-c2ccccc2)c(N(C2=CC=C3C(=Cc4ccccc43)C23C=CC=C2C3=Cc3ccccc32)c2c3c(cc(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)c1C
InChIInChI=1S/C64H45N/c1-41-32-33-52(43-19-6-3-7-20-43)62(42(41)2)65(63-57-37-46-25-12-17-30-51(46)56(57)40-55(44-21-8-4-9-22-44)61(63)45-23-10-5-11-24-45)60-35-34-54-50-29-16-14-27-48(50)39-59(54)64(60)36-18-31-53-49-28-15-13-26-47(49)38-58(53)64/h3-36,38-40H,37H2,1-2H3
InChIKeyWEUGJGBILPOKDQ-UHFFFAOYSA-N
MW828.07 g/mol
LogP16.43
Rot. Bonds6

About N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine

N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine (PubChem CID 166133567) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine
PubChem CID166133567
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine
SMILESCc1ccc(-c2ccccc2)c(N(C2=CC=C3C(=Cc4ccccc43)C23C=CC=C2C3=Cc3ccccc32)c2c3c(cc(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)c1C
InChIInChI=1S/C64H45N/c1-41-32-33-52(43-19-6-3-7-20-43)62(42(41)2)65(63-57-37-46-25-12-17-30-51(46)56(57)40-55(44-21-8-4-9-22-44)61(63)45-23-10-5-11-24-45)60-35-34-54-50-29-16-14-27-48(50)39-59(54)64(60)36-18-31-53-49-28-15-13-26-47(49)38-58(53)64/h3-36,38-40H,37H2,1-2H3
InChIKeyWEUGJGBILPOKDQ-UHFFFAOYSA-N
XLogP16.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133775
1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
CID 166544861
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
4-phenyl-6-(2-phenylphenyl)-5-(1,1'-spirobi[fluorene]-2'-yl)triazine
CID 171060145
2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene
CID 151991768
N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline
CID 175031439
1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
CID 150549233
4-methylbenzenesulfonic acid;3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-diphenyl-9H-fluorene
CID 172859889
4-(1,8-diphenylfluoren-1-yl)-2-methylphenol
CID 139370657
4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine
CID 166133990
N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
CID 166134830
2,2,7,7'-tetraphenylspiro[9H-fluorene-1,1'-fluorene]
CID 154395257

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine (CID 166133567) is N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine is Cc1ccc(-c2ccccc2)c(N(C2=CC=C3C(=Cc4ccccc43)C23C=CC=C2C3=Cc3ccccc32)c2c3c(cc(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine?
The InChIKey is WEUGJGBILPOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-41-32-33-52(43-19-6-3-7-20-43)62(42(41)2)65(63-57-37-46-25-12-17-30-51(46)56(57)40-55(44-21-8-4-9-22-44)61(63)45-23-10-5-11-24-45)60-35-34-54-50-29-16-14-27-48(50)39-59(54)64(60)36-18-31-53-49-28-15-13-26-47(49)38-58(53)64/h3-36,38-40H,37H2,1-2H3.
What are the key properties of N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine?
N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine has a molecular weight of 828.07 g/mol, XLogP of 16.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 166133567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).