N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C62H59N — CID 164529126

IUPACN-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C62H59N/c1-59(2,3)45-34-44(35-46(37-45)60(4,5)6)41-24-26-42(27-25-41)49-31-28-43(40-18-12-11-13-19-40)36-58(49)63(47-29-32-52-50-20-14-16-22-54(50)61(7,8)56(52)38-47)48-30-33-53-51-21-15-17-23-55(51)62(9,10)57(53)39-48/h11-39H,1-10H3
InChIKeyPPAXIMAAMPDHIV-UHFFFAOYSA-N
MW818.16 g/mol
LogP17.36
Rot. Bonds6

About N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 164529126) has the molecular formula C62H59N and a molecular weight of 818.16 g/mol. Its IUPAC name is N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID164529126
Molecular FormulaC62H59N
Molecular Weight818.16 g/mol
Exact Mass817.46
IUPAC NameN-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C62H59N/c1-59(2,3)45-34-44(35-46(37-45)60(4,5)6)41-24-26-42(27-25-41)49-31-28-43(40-18-12-11-13-19-40)36-58(49)63(47-29-32-52-50-20-14-16-22-54(50)61(7,8)56(52)38-47)48-30-33-53-51-21-15-17-23-55(51)62(9,10)57(53)39-48/h11-39H,1-10H3
InChIKeyPPAXIMAAMPDHIV-UHFFFAOYSA-N
XLogP17.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.16
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159398373
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438
N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[2-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 159546850
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 158277620
N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
CID 155760461
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(3-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160536709
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 161118232
N-[5-tert-butyl-3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[5-tert-butyl-3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 158181473
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215483
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160693671

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 164529126) is N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is PPAXIMAAMPDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H59N/c1-59(2,3)45-34-44(35-46(37-45)60(4,5)6)41-24-26-42(27-25-41)49-31-28-43(40-18-12-11-13-19-40)36-58(49)63(47-29-32-52-50-20-14-16-22-54(50)61(7,8)56(52)38-47)48-30-33-53-51-21-15-17-23-55(51)62(9,10)57(53)39-48/h11-39H,1-10H3.
What are the key properties of N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 818.16 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 164529126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).