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

C41H43N — CID 155466839

IUPACN-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C41H43N/c1-39(2,3)30-24-29(25-31(26-30)40(4,5)6)28-18-20-33(21-19-28)42(32-14-10-9-11-15-32)34-22-23-36-35-16-12-13-17-37(35)41(7,8)38(36)27-34/h9-27H,1-8H3
InChIKeyPBHSKSDBZMSHJB-UHFFFAOYSA-N
MW549.80 g/mol
LogP11.72
Rot. Bonds4

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

N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 155466839) has the molecular formula C41H43N and a molecular weight of 549.80 g/mol. Its IUPAC name is N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID155466839
Molecular FormulaC41H43N
Molecular Weight549.80 g/mol
Exact Mass549.34
IUPAC NameN-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C41H43N/c1-39(2,3)30-24-29(25-31(26-30)40(4,5)6)28-18-20-33(21-19-28)42(32-14-10-9-11-15-32)34-22-23-36-35-16-12-13-17-37(35)41(7,8)38(36)27-34/h9-27H,1-8H3
InChIKeyPBHSKSDBZMSHJB-UHFFFAOYSA-N
XLogP11.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.80
LogP ≤ 511.72
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
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
CID 155760461
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-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(2-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 161118232
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160612005
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
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-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
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-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 155466839) is N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC(C)(C)c1cc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is PBHSKSDBZMSHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43N/c1-39(2,3)30-24-29(25-31(26-30)40(4,5)6)28-18-20-33(21-19-28)42(32-14-10-9-11-15-32)34-22-23-36-35-16-12-13-17-37(35)41(7,8)38(36)27-34/h9-27H,1-8H3.
What are the key properties of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 549.80 g/mol, XLogP of 11.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 155466839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).