9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine

C63H48N2 — CID 156545394

IUPAC9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C63H48N2/c1-63(2)60-33-18-17-32-57(60)59-43-58(48-36-38-52(39-37-48)64(50-25-11-5-12-26-50)51-27-13-6-14-28-51)62(44-61(59)63)65(54-29-19-24-49(42-54)45-20-7-3-8-21-45)53-40-34-47(35-41-53)56-31-16-15-30-55(56)46-22-9-4-10-23-46/h3-44H,1-2H3
InChIKeyXUUCCZSQSLMVDD-UHFFFAOYSA-N
MW833.09 g/mol
LogP17.60
Rot. Bonds10

About 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 156545394) has the molecular formula C63H48N2 and a molecular weight of 833.09 g/mol. Its IUPAC name is 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID156545394
Molecular FormulaC63H48N2
Molecular Weight833.09 g/mol
Exact Mass832.38
IUPAC Name9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C63H48N2/c1-63(2)60-33-18-17-32-57(60)59-43-58(48-36-38-52(39-37-48)64(50-25-11-5-12-26-50)51-27-13-6-14-28-51)62(44-61(59)63)65(54-29-19-24-49(42-54)45-20-7-3-8-21-45)53-40-34-47(35-41-53)56-31-16-15-30-55(56)46-22-9-4-10-23-46/h3-44H,1-2H3
InChIKeyXUUCCZSQSLMVDD-UHFFFAOYSA-N
XLogP17.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.09
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791748
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;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-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160701303
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine (CID 156545394) is 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is XUUCCZSQSLMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N2/c1-63(2)60-33-18-17-32-57(60)59-43-58(48-36-38-52(39-37-48)64(50-25-11-5-12-26-50)51-27-13-6-14-28-51)62(44-61(59)63)65(54-29-19-24-49(42-54)45-20-7-3-8-21-45)53-40-34-47(35-41-53)56-31-16-15-30-55(56)46-22-9-4-10-23-46/h3-44H,1-2H3.
What are the key properties of 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 833.09 g/mol, XLogP of 17.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 156545394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).