N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C54H39F2N — CID 142508880

IUPACN-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCc1cc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c2c(c1)-c1c(C)cccc1C21c2cccc(F)c2-c2c(F)cccc21
InChIInChI=1S/C54H39F2N/c1-32-28-40(52-41(29-32)49-33(2)14-10-21-43(49)54(52)44-22-12-24-47(55)50(44)51-45(54)23-13-25-48(51)56)34-15-11-18-36(30-34)57(35-16-6-5-7-17-35)37-26-27-39-38-19-8-9-20-42(38)53(3,4)46(39)31-37/h5-31H,1-4H3
InChIKeyCRWGHWSEHQORDE-UHFFFAOYSA-N
MW739.91 g/mol
LogP14.37
Rot. Bonds4

About N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 142508880) has the molecular formula C54H39F2N and a molecular weight of 739.91 g/mol. Its IUPAC name is N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID142508880
Molecular FormulaC54H39F2N
Molecular Weight739.91 g/mol
Exact Mass739.31
IUPAC NameN-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCc1cc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c2c(c1)-c1c(C)cccc1C21c2cccc(F)c2-c2c(F)cccc21
InChIInChI=1S/C54H39F2N/c1-32-28-40(52-41(29-32)49-33(2)14-10-21-43(49)54(52)44-22-12-24-47(55)50(44)51-45(54)23-13-25-48(51)56)34-15-11-18-36(30-34)57(35-16-6-5-7-17-35)37-26-27-39-38-19-8-9-20-42(38)53(3,4)46(39)31-37/h5-31H,1-4H3
InChIKeyCRWGHWSEHQORDE-UHFFFAOYSA-N
XLogP14.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.91
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-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

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
CID 137388034
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 137388127
3-N-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(3-phenylphenyl)benzene-1,3,5-triamine
CID 177117432
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 176611544
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 142508880) is N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is Cc1cc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c2c(c1)-c1c(C)cccc1C21c2cccc(F)c2-c2c(F)cccc21.
What is the InChIKey of N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is CRWGHWSEHQORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39F2N/c1-32-28-40(52-41(29-32)49-33(2)14-10-21-43(49)54(52)44-22-12-24-47(55)50(44)51-45(54)23-13-25-48(51)56)34-15-11-18-36(30-34)57(35-16-6-5-7-17-35)37-26-27-39-38-19-8-9-20-42(38)53(3,4)46(39)31-37/h5-31H,1-4H3.
What are the key properties of N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 739.91 g/mol, XLogP of 14.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-difluoro-3',5'-dimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 142508880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).