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

C55H63N — CID 161118232

IUPACN-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C(C)(C)C)cc2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C55H63N/c1-51(2,3)40-30-37(29-38(31-40)39-32-41(52(4,5)6)34-42(33-39)53(7,8)9)36-23-25-43(26-24-36)56(50-22-18-17-21-48(50)54(10,11)12)44-27-28-46-45-19-15-16-20-47(45)55(13,14)49(46)35-44/h15-35H,1-14H3
InChIKeyQNGBPXDIBFCVDK-UHFFFAOYSA-N
MW738.12 g/mol
LogP15.99
Rot. Bonds5

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

N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 161118232) has the molecular formula C55H63N and a molecular weight of 738.12 g/mol. Its IUPAC name is N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID161118232
Molecular FormulaC55H63N
Molecular Weight738.12 g/mol
Exact Mass737.50
IUPAC NameN-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C(C)(C)C)cc2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C55H63N/c1-51(2,3)40-30-37(29-38(31-40)39-32-41(52(4,5)6)34-42(33-39)53(7,8)9)36-23-25-43(26-24-36)56(50-22-18-17-21-48(50)54(10,11)12)44-27-28-46-45-19-15-16-20-47(45)55(13,14)49(46)35-44/h15-35H,1-14H3
InChIKeyQNGBPXDIBFCVDK-UHFFFAOYSA-N
XLogP15.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.12
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160831639
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-[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-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 164529126
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-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
CID 155760461
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-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-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170293567
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160500635

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (CID 161118232) is N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3C(C)(C)C)cc2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.
What is the InChIKey of N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is QNGBPXDIBFCVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H63N/c1-51(2,3)40-30-37(29-38(31-40)39-32-41(52(4,5)6)34-42(33-39)53(7,8)9)36-23-25-43(26-24-36)56(50-22-18-17-21-48(50)54(10,11)12)44-27-28-46-45-19-15-16-20-47(45)55(13,14)49(46)35-44/h15-35H,1-14H3.
What are the key properties of N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 738.12 g/mol, XLogP of 15.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 161118232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).