N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine

C54H53N — CID 155760461

IUPACN-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
SMILESCc1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1
InChIInChI=1S/C54H53N/c1-36-13-12-14-41(31-36)39-23-27-46(28-24-39)55(47-29-30-49-48-15-10-11-16-50(48)54(8,9)51(49)35-47)45-25-21-38(22-26-45)37-17-19-40(20-18-37)42-32-43(52(2,3)4)34-44(33-42)53(5,6)7/h10-35H,1-9H3
InChIKeyHCDZPIYKGJERHY-UHFFFAOYSA-N
MW716.03 g/mol
LogP15.37
Rot. Bonds6

About N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine

N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine (PubChem CID 155760461) has the molecular formula C54H53N and a molecular weight of 716.03 g/mol. Its IUPAC name is N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
PubChem CID155760461
Molecular FormulaC54H53N
Molecular Weight716.03 g/mol
Exact Mass715.42
IUPAC NameN-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
SMILESCc1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1
InChIInChI=1S/C54H53N/c1-36-13-12-14-41(31-36)39-23-27-46(28-24-39)55(47-29-30-49-48-15-10-11-16-50(48)54(8,9)51(49)35-47)45-25-21-38(22-26-45)37-17-19-40(20-18-37)42-32-43(52(2,3)4)34-44(33-42)53(5,6)7/h10-35H,1-9H3
InChIKeyHCDZPIYKGJERHY-UHFFFAOYSA-N
XLogP15.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.03
LogP ≤ 515.37
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]-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-[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-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
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-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160693671
N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 164529126
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
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-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161128856
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 161118232

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine (CID 155760461) is N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine is Cc1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1.
What is the InChIKey of N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine?
The InChIKey is HCDZPIYKGJERHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H53N/c1-36-13-12-14-41(31-36)39-23-27-46(28-24-39)55(47-29-30-49-48-15-10-11-16-50(48)54(8,9)51(49)35-47)45-25-21-38(22-26-45)37-17-19-40(20-18-37)42-32-43(52(2,3)4)34-44(33-42)53(5,6)7/h10-35H,1-9H3.
What are the key properties of N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine?
N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine has a molecular weight of 716.03 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155760461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).