N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine

C57H47N — CID 154972869

IUPACN,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21
InChIInChI=1S/C57H47N/c1-55(2)51-24-12-9-21-45(51)48-35-42(27-30-52(48)55)58(40-17-13-15-36(31-40)38-25-28-46-43-19-7-10-22-49(43)56(3,4)53(46)33-38)41-18-14-16-37(32-41)39-26-29-47-44-20-8-11-23-50(44)57(5,6)54(47)34-39/h7-35H,1-6H3
InChIKeyVEZMIXQLAWHPFL-UHFFFAOYSA-N
MW746.01 g/mol
LogP15.41
Rot. Bonds5

About N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine

N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 154972869) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
PubChem CID154972869
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC NameN,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21
InChIInChI=1S/C57H47N/c1-55(2)51-24-12-9-21-45(51)48-35-42(27-30-52(48)55)58(40-17-13-15-36(31-40)38-25-28-46-43-19-7-10-22-49(43)56(3,4)53(46)33-38)41-18-14-16-37(32-41)39-26-29-47-44-20-8-11-23-50(44)57(5,6)54(47)34-39/h7-35H,1-6H3
InChIKeyVEZMIXQLAWHPFL-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
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-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 163849561
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143467
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
CID 167176882
CID 167176882
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine (CID 154972869) is N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21.
What is the InChIKey of N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is VEZMIXQLAWHPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-55(2)51-24-12-9-21-45(51)48-35-42(27-30-52(48)55)58(40-17-13-15-36(31-40)38-25-28-46-43-19-7-10-22-49(43)56(3,4)53(46)33-38)41-18-14-16-37(32-41)39-26-29-47-44-20-8-11-23-50(44)57(5,6)54(47)34-39/h7-35H,1-6H3.
What are the key properties of N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine?
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine has a molecular weight of 746.01 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 154972869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).