2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline

C66H51N — CID 170218393

IUPAC2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C66H51N/c1-65(2)60-22-11-8-17-54(60)56-42-37-51(43-62(56)65)50-35-40-53(41-36-50)67(63-24-13-10-19-57(63)59-21-14-20-58-55-18-9-12-23-61(55)66(3,4)64(58)59)52-38-33-49(34-39-52)48-31-29-47(30-32-48)46-27-25-45(26-28-46)44-15-6-5-7-16-44/h5-43H,1-4H3
InChIKeyWDKJBGVLEUITCG-UHFFFAOYSA-N
MW858.14 g/mol
LogP18.10
Rot. Bonds8

About 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline

2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 170218393) has the molecular formula C66H51N and a molecular weight of 858.14 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
PubChem CID170218393
Molecular FormulaC66H51N
Molecular Weight858.14 g/mol
Exact Mass857.40
IUPAC Name2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C66H51N/c1-65(2)60-22-11-8-17-54(60)56-42-37-51(43-62(56)65)50-35-40-53(41-36-50)67(63-24-13-10-19-57(63)59-21-14-20-58-55-18-9-12-23-61(55)66(3,4)64(58)59)52-38-33-49(34-39-52)48-31-29-47(30-32-48)46-27-25-45(26-28-46)44-15-6-5-7-16-44/h5-43H,1-4H3
InChIKeyWDKJBGVLEUITCG-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.14
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline with MolForge

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170142402
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217349
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
CID 138461967
2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 167197240
9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 167196960

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline (CID 170218393) is 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is WDKJBGVLEUITCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N/c1-65(2)60-22-11-8-17-54(60)56-42-37-51(43-62(56)65)50-35-40-53(41-36-50)67(63-24-13-10-19-57(63)59-21-14-20-58-55-18-9-12-23-61(55)66(3,4)64(58)59)52-38-33-49(34-39-52)48-31-29-47(30-32-48)46-27-25-45(26-28-46)44-15-6-5-7-16-44/h5-43H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline?
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 858.14 g/mol, XLogP of 18.10, 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-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 170218393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).