N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine

C46H43N — CID 170144166

IUPACN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccccc3)c3cccc4c3C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C46H43N/c1-44(2,3)30-27-28-36-39(29-30)45(4,5)38-24-15-21-34(42(36)38)33-20-12-14-25-40(33)47(31-17-9-8-10-18-31)41-26-16-22-35-32-19-11-13-23-37(32)46(6,7)43(35)41/h8-29H,1-7H3
InChIKeyWDCDTGREKRDQQL-UHFFFAOYSA-N
MW609.86 g/mol
LogP12.73
Rot. Bonds4

About N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine

N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine (PubChem CID 170144166) has the molecular formula C46H43N and a molecular weight of 609.86 g/mol. Its IUPAC name is N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine.

Molecular Properties

Compound NameN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
PubChem CID170144166
Molecular FormulaC46H43N
Molecular Weight609.86 g/mol
Exact Mass609.34
IUPAC NameN-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccccc3)c3cccc4c3C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C46H43N/c1-44(2,3)30-27-28-36-39(29-30)45(4,5)38-24-15-21-34(42(36)38)33-20-12-14-25-40(33)47(31-17-9-8-10-18-31)41-26-16-22-35-32-19-11-13-23-37(32)46(6,7)43(35)41/h8-29H,1-7H3
InChIKeyWDCDTGREKRDQQL-UHFFFAOYSA-N
XLogP12.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170141356
N-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170142627
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 170141284
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 170142560
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 170143527
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067906
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170142402

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine?
The IUPAC name of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine (CID 170144166) is N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine.
What is the SMILES notation for N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine?
The canonical SMILES for N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(-c3ccccc3N(c3ccccc3)c3cccc4c3C(C)(C)c3ccccc3-4)c1-2.
What is the InChIKey of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine?
The InChIKey is WDCDTGREKRDQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N/c1-44(2,3)30-27-28-36-39(29-30)45(4,5)38-24-15-21-34(42(36)38)33-20-12-14-25-40(33)47(31-17-9-8-10-18-31)41-26-16-22-35-32-19-11-13-23-37(32)46(6,7)43(35)41/h8-29H,1-7H3.
What are the key properties of N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine?
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine has a molecular weight of 609.86 g/mol, XLogP of 12.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine is sourced from PubChem (CID 170144166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).