N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine

C70H51N — CID 168790722

IUPACN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)cccc21
InChIInChI=1S/C70H51N/c1-69(2)62-40-19-18-37-60(62)67-57(38-22-42-65(67)69)50-28-21-33-53(46-50)71(66-43-23-39-56(49-26-9-4-10-27-49)68(66)59-36-16-15-34-55(59)48-24-7-3-8-25-48)54-44-45-64-61(47-54)58-35-17-20-41-63(58)70(64,51-29-11-5-12-30-51)52-31-13-6-14-32-52/h3-47H,1-2H3
InChIKeyPQUQOMCFXWFHNH-UHFFFAOYSA-N
MW906.19 g/mol
LogP18.49
Rot. Bonds9

About N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine

N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine (PubChem CID 168790722) has the molecular formula C70H51N and a molecular weight of 906.19 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
PubChem CID168790722
Molecular FormulaC70H51N
Molecular Weight906.19 g/mol
Exact Mass905.40
IUPAC NameN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)cccc21
InChIInChI=1S/C70H51N/c1-69(2)62-40-19-18-37-60(62)67-57(38-22-42-65(67)69)50-28-21-33-53(46-50)71(66-43-23-39-56(49-26-9-4-10-27-49)68(66)59-36-16-15-34-55(59)48-24-7-3-8-25-48)54-44-45-64-61(47-54)58-35-17-20-41-63(58)70(64,51-29-11-5-12-30-51)52-31-13-6-14-32-52/h3-47H,1-2H3
InChIKeyPQUQOMCFXWFHNH-UHFFFAOYSA-N
XLogP18.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.19
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168789109
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788809
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 134487997
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 122607124
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790005
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 135193193
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 167285837
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142523
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine (CID 168790722) is N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)cccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine?
The InChIKey is PQUQOMCFXWFHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51N/c1-69(2)62-40-19-18-37-60(62)67-57(38-22-42-65(67)69)50-28-21-33-53(46-50)71(66-43-23-39-56(49-26-9-4-10-27-49)68(66)59-36-16-15-34-55(59)48-24-7-3-8-25-48)54-44-45-64-61(47-54)58-35-17-20-41-63(58)70(64,51-29-11-5-12-30-51)52-31-13-6-14-32-52/h3-47H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine?
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine has a molecular weight of 906.19 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine is sourced from PubChem (CID 168790722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).