N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine

C59H45N — CID 170215500

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c21
InChIInChI=1S/C59H45N/c1-58(2)53-26-13-10-23-50(53)52-25-16-24-48(57(52)58)43-33-35-45(36-34-43)60(56-28-15-12-21-47(56)42-31-29-41(30-32-42)40-17-6-4-7-18-40)46-37-38-51-49-22-11-14-27-54(49)59(3,55(51)39-46)44-19-8-5-9-20-44/h4-39H,1-3H3
InChIKeyVGLAPYYHYDSMHF-UHFFFAOYSA-N
MW768.02 g/mol
LogP15.80
Rot. Bonds7

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

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 170215500) has the molecular formula C59H45N and a molecular weight of 768.02 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID170215500
Molecular FormulaC59H45N
Molecular Weight768.02 g/mol
Exact Mass767.36
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c21
InChIInChI=1S/C59H45N/c1-58(2)53-26-13-10-23-50(53)52-25-16-24-48(57(52)58)43-33-35-45(36-34-43)60(56-28-15-12-21-47(56)42-31-29-41(30-32-42)40-17-6-4-7-18-40)46-37-38-51-49-22-11-14-27-54(49)59(3,55(51)39-46)44-19-8-5-9-20-44/h4-39H,1-3H3
InChIKeyVGLAPYYHYDSMHF-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.02
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
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-[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-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216915
N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216343
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170217472
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-2-yl)fluoren-1-amine
CID 170216276
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 90029841

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 170215500) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is VGLAPYYHYDSMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N/c1-58(2)53-26-13-10-23-50(53)52-25-16-24-48(57(52)58)43-33-35-45(36-34-43)60(56-28-15-12-21-47(56)42-31-29-41(30-32-42)40-17-6-4-7-18-40)46-37-38-51-49-22-11-14-27-54(49)59(3,55(51)39-46)44-19-8-5-9-20-44/h4-39H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 768.02 g/mol, XLogP of 15.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170215500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).