2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline

C64H47N — CID 170136504

IUPAC2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cccc21
InChIInChI=1S/C64H47N/c1-63(2)57-29-15-13-27-55(57)62-54(28-18-31-60(62)63)53-26-14-17-32-61(53)65(50-38-33-45(34-39-50)44-19-6-3-7-20-44)51-40-35-46(36-41-51)47-37-42-59-56(43-47)52-25-12-16-30-58(52)64(59,48-21-8-4-9-22-48)49-23-10-5-11-24-49/h3-43H,1-2H3
InChIKeyHOMTWYDGMSHNSP-UHFFFAOYSA-N
MW830.09 g/mol
LogP16.83
Rot. Bonds8

About 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline

2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 170136504) has the molecular formula C64H47N and a molecular weight of 830.09 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID170136504
Molecular FormulaC64H47N
Molecular Weight830.09 g/mol
Exact Mass829.37
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cccc21
InChIInChI=1S/C64H47N/c1-63(2)57-29-15-13-27-55(57)62-54(28-18-31-60(62)63)53-26-14-17-32-61(53)65(50-38-33-45(34-39-50)44-19-6-3-7-20-44)51-40-35-46(36-41-51)47-37-42-59-56(43-47)52-25-12-16-30-58(52)64(59,48-21-8-4-9-22-48)49-23-10-5-11-24-49/h3-43H,1-2H3
InChIKeyHOMTWYDGMSHNSP-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.09
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624
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
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142520
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170143598
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 170142634
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170143670
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
2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170136312
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170135425
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 170143599
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-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-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 160891941

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 170136504) is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is HOMTWYDGMSHNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N/c1-63(2)57-29-15-13-27-55(57)62-54(28-18-31-60(62)63)53-26-14-17-32-61(53)65(50-38-33-45(34-39-50)44-19-6-3-7-20-44)51-40-35-46(36-41-51)47-37-42-59-56(43-47)52-25-12-16-30-58(52)64(59,48-21-8-4-9-22-48)49-23-10-5-11-24-49/h3-43H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 830.09 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170136504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).