7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine

C49H49N — CID 174308002

IUPAC7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
SMILESCc1cc(C)c(-c2ccccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)c(C)c1
InChIInChI=1S/C49H49N/c1-30-25-31(2)46(32(3)26-30)40-16-12-14-18-45(40)50(34-20-23-38-36-15-11-13-17-41(36)48(7,8)43(38)28-34)35-21-24-39-37-22-19-33(47(4,5)6)27-42(37)49(9,10)44(39)29-35/h11-29H,1-10H3
InChIKeyFIUSJXJYBCOLLZ-UHFFFAOYSA-N
MW651.94 g/mol
LogP13.66
Rot. Bonds4

About 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine

7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine (PubChem CID 174308002) has the molecular formula C49H49N and a molecular weight of 651.94 g/mol. Its IUPAC name is 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
PubChem CID174308002
Molecular FormulaC49H49N
Molecular Weight651.94 g/mol
Exact Mass651.39
IUPAC Name7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
SMILESCc1cc(C)c(-c2ccccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)c(C)c1
InChIInChI=1S/C49H49N/c1-30-25-31(2)46(32(3)26-30)40-16-12-14-18-45(40)50(34-20-23-38-36-15-11-13-17-41(36)48(7,8)43(38)28-34)35-21-24-39-37-22-19-33(47(4,5)6)27-42(37)49(9,10)44(39)29-35/h11-29H,1-10H3
InChIKeyFIUSJXJYBCOLLZ-UHFFFAOYSA-N
XLogP13.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.94
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(8-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309727
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309728
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156556780
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718
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
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217441
10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine
CID 169284425
7-tert-butyl-N-[2-(6-tert-butyldibenzothiophen-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315922
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine (CID 174308002) is 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine is Cc1cc(C)c(-c2ccccc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)c(C)c1.
What is the InChIKey of 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine?
The InChIKey is FIUSJXJYBCOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H49N/c1-30-25-31(2)46(32(3)26-30)40-16-12-14-18-45(40)50(34-20-23-38-36-15-11-13-17-41(36)48(7,8)43(38)28-34)35-21-24-39-37-22-19-33(47(4,5)6)27-42(37)49(9,10)44(39)29-35/h11-29H,1-10H3.
What are the key properties of 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine?
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine has a molecular weight of 651.94 g/mol, XLogP of 13.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 174308002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).