N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

C43H39N — CID 176781141

IUPACN-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C43H39N/c1-42(2,3)40-28-33(31-16-10-7-11-17-31)22-27-41(40)44(34-23-20-32(21-24-34)30-14-8-6-9-15-30)35-25-26-39-37(29-35)36-18-12-13-19-38(36)43(39,4)5/h6-29H,1-5H3
InChIKeyLHKXSBZHDCQXPP-UHFFFAOYSA-N
MW569.79 g/mol
LogP12.09
Rot. Bonds5

About N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 176781141) has the molecular formula C43H39N and a molecular weight of 569.79 g/mol. Its IUPAC name is N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID176781141
Molecular FormulaC43H39N
Molecular Weight569.79 g/mol
Exact Mass569.31
IUPAC NameN-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C43H39N/c1-42(2,3)40-28-33(31-16-10-7-11-17-31)22-27-41(40)44(34-23-20-32(21-24-34)30-14-8-6-9-15-30)35-25-26-39-37(29-35)36-18-12-13-19-38(36)43(39,4)5/h6-29H,1-5H3
InChIKeyLHKXSBZHDCQXPP-UHFFFAOYSA-N
XLogP12.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-amine
CID 176781221
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 176781079
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-(2-tert-butyl-4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781201
N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781185
N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781264
N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781127
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (CID 176781141) is N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is CC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)-c1ccccc1C2(C)C.
What is the InChIKey of N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is LHKXSBZHDCQXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N/c1-42(2,3)40-28-33(31-16-10-7-11-17-31)22-27-41(40)44(34-23-20-32(21-24-34)30-14-8-6-9-15-30)35-25-26-39-37(29-35)36-18-12-13-19-38(36)43(39,4)5/h6-29H,1-5H3.
What are the key properties of N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 569.79 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 176781141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).