N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline

C74H51N — CID 162510727

IUPACN,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2cccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C74H51N/c1-6-26-52(27-7-1)61-40-18-21-49-70(61)75(59-38-22-28-53(50-59)62-43-24-47-68-71(62)64-41-16-19-45-66(64)73(68,55-30-8-2-9-31-55)56-32-10-3-11-33-56)60-39-23-29-54(51-60)63-44-25-48-69-72(63)65-42-17-20-46-67(65)74(69,57-34-12-4-13-35-57)58-36-14-5-15-37-58/h1-51H
InChIKeyXCSOVHLMYLOXFL-UHFFFAOYSA-N
MW954.23 g/mol
LogP18.88
Rot. Bonds10

About N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline

N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline (PubChem CID 162510727) has the molecular formula C74H51N and a molecular weight of 954.23 g/mol. Its IUPAC name is N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
PubChem CID162510727
Molecular FormulaC74H51N
Molecular Weight954.23 g/mol
Exact Mass953.40
IUPAC NameN,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2cccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C74H51N/c1-6-26-52(27-7-1)61-40-18-21-49-70(61)75(59-38-22-28-53(50-59)62-43-24-47-68-71(62)64-41-16-19-45-66(64)73(68,55-30-8-2-9-31-55)56-32-10-3-11-33-56)60-39-23-29-54(51-60)63-44-25-48-69-72(63)65-42-17-20-46-67(65)74(69,57-34-12-4-13-35-57)58-36-14-5-15-37-58/h1-51H
InChIKeyXCSOVHLMYLOXFL-UHFFFAOYSA-N
XLogP18.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.23
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 122607124
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 169020349
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303422
N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 160917720
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
CID 169292985
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160756851
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-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline?
The IUPAC name of N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline (CID 162510727) is N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline?
The canonical SMILES for N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline is c1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2cccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline?
The InChIKey is XCSOVHLMYLOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N/c1-6-26-52(27-7-1)61-40-18-21-49-70(61)75(59-38-22-28-53(50-59)62-43-24-47-68-71(62)64-41-16-19-45-66(64)73(68,55-30-8-2-9-31-55)56-32-10-3-11-33-56)60-39-23-29-54(51-60)63-44-25-48-69-72(63)65-42-17-20-46-67(65)74(69,57-34-12-4-13-35-57)58-36-14-5-15-37-58/h1-51H.
What are the key properties of N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline?
N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline has a molecular weight of 954.23 g/mol, XLogP of 18.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 162510727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).