9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine

C68H47N — CID 121381740

IUPAC9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C68H47N/c1-5-23-48(24-6-1)49-25-21-26-50(47-49)56-33-16-20-41-64(56)69(55-45-43-54(44-46-55)67(51-27-7-2-8-28-51)61-38-17-13-34-57(61)58-35-14-18-39-62(58)67)65-42-22-37-60-59-36-15-19-40-63(59)68(66(60)65,52-29-9-3-10-30-52)53-31-11-4-12-32-53/h1-47H
InChIKeyVSTHAQJFBOLLGX-UHFFFAOYSA-N
MW878.13 g/mol
LogP17.22
Rot. Bonds9

About 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine

9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine (PubChem CID 121381740) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine
PubChem CID121381740
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC Name9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C68H47N/c1-5-23-48(24-6-1)49-25-21-26-50(47-49)56-33-16-20-41-64(56)69(55-45-43-54(44-46-55)67(51-27-7-2-8-28-51)61-38-17-13-34-57(61)58-35-14-18-39-62(58)67)65-42-22-37-60-59-36-15-19-40-63(59)68(66(60)65,52-29-9-3-10-30-52)53-31-11-4-12-32-53/h1-47H
InChIKeyVSTHAQJFBOLLGX-UHFFFAOYSA-N
XLogP17.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 121381614
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(3-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 161362577
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423694
3-N-(9,9-diphenylfluoren-3-yl)-1-N,1-N-diphenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-1-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 161236726
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9-phenyl-9-(4-phenylphenyl)fluoren-1-amine
CID 163731251
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 159688731
N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169292940
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine?
The IUPAC name of 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine (CID 121381740) is 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine.
What is the SMILES notation for 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine?
The canonical SMILES for 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine is c1ccc(-c2cccc(-c3ccccc3N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.
What is the InChIKey of 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine?
The InChIKey is VSTHAQJFBOLLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-5-23-48(24-6-1)49-25-21-26-50(47-49)56-33-16-20-41-64(56)69(55-45-43-54(44-46-55)67(51-27-7-2-8-28-51)61-38-17-13-34-57(61)58-35-14-18-39-62(58)67)65-42-22-37-60-59-36-15-19-40-63(59)68(66(60)65,52-29-9-3-10-30-52)53-31-11-4-12-32-53/h1-47H.
What are the key properties of 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine?
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine has a molecular weight of 878.13 g/mol, XLogP of 17.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine is sourced from PubChem (CID 121381740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).