9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine

C57H51N — CID 118428468

IUPAC9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C57H51N/c1-55(2,3)57(56(4,5)6)53-38-47(46-24-22-43(23-25-46)40-16-10-7-11-17-40)30-36-51(53)52-37-35-50(39-54(52)57)58(48-31-26-44(27-32-48)41-18-12-8-13-19-41)49-33-28-45(29-34-49)42-20-14-9-15-21-42/h7-39H,1-6H3
InChIKeyLNOGVBNVOBDJPR-UHFFFAOYSA-N
MW750.04 g/mol
LogP16.18
Rot. Bonds7

About 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine

9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine (PubChem CID 118428468) has the molecular formula C57H51N and a molecular weight of 750.04 g/mol. Its IUPAC name is 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine
PubChem CID118428468
Molecular FormulaC57H51N
Molecular Weight750.04 g/mol
Exact Mass749.40
IUPAC Name9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C57H51N/c1-55(2,3)57(56(4,5)6)53-38-47(46-24-22-43(23-25-46)40-16-10-7-11-17-40)30-36-51(53)52-37-35-50(39-54(52)57)58(48-31-26-44(27-32-48)41-18-12-8-13-19-41)49-33-28-45(29-34-49)42-20-14-9-15-21-42/h7-39H,1-6H3
InChIKeyLNOGVBNVOBDJPR-UHFFFAOYSA-N
XLogP16.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.04
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764668
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295

Frequently Asked Questions

What is the IUPAC name of 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine (CID 118428468) is 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine is CC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine?
The InChIKey is LNOGVBNVOBDJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51N/c1-55(2,3)57(56(4,5)6)53-38-47(46-24-22-43(23-25-46)40-16-10-7-11-17-40)30-36-51(53)52-37-35-50(39-54(52)57)58(48-31-26-44(27-32-48)41-18-12-8-13-19-41)49-33-28-45(29-34-49)42-20-14-9-15-21-42/h7-39H,1-6H3.
What are the key properties of 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine?
9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine has a molecular weight of 750.04 g/mol, XLogP of 16.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-ditert-butyl-N,N,7-tris(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118428468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).