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

C68H47N — CID 121464379

IUPAC9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C68H47N/c1-5-22-48(23-6-1)56-30-13-14-31-57(56)49-40-44-54(45-41-49)69(55-46-42-53(43-47-55)67(50-24-7-2-8-25-50)61-35-18-15-32-58(61)59-33-16-19-36-62(59)67)65-39-21-38-64-66(65)60-34-17-20-37-63(60)68(64,51-26-9-3-10-27-51)52-28-11-4-12-29-52/h1-47H
InChIKeyPSVPNQAPAOHUIX-UHFFFAOYSA-N
MW878.13 g/mol
LogP17.22
Rot. Bonds9

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

9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 121464379) 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-[4-(2-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID121464379
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC Name9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C68H47N/c1-5-22-48(23-6-1)56-30-13-14-31-57(56)49-40-44-54(45-41-49)69(55-46-42-53(43-47-55)67(50-24-7-2-8-25-50)61-35-18-15-32-58(61)59-33-16-19-36-62(59)67)65-39-21-38-64-66(65)60-34-17-20-37-63(60)68(64,51-26-9-3-10-27-51)52-28-11-4-12-29-52/h1-47H
InChIKeyPSVPNQAPAOHUIX-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

9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159700387
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 159770549
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
CID 118153763
CID 118153763
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197134
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790005

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine (CID 121464379) is 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is PSVPNQAPAOHUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-5-22-48(23-6-1)56-30-13-14-31-57(56)49-40-44-54(45-41-49)69(55-46-42-53(43-47-55)67(50-24-7-2-8-25-50)61-35-18-15-32-58(61)59-33-16-19-36-62(59)67)65-39-21-38-64-66(65)60-34-17-20-37-63(60)68(64,51-26-9-3-10-27-51)52-28-11-4-12-29-52/h1-47H.
What are the key properties of 9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine?
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-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-[4-(2-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 121464379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).