2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine

C57H49N — CID 155409026

IUPAC2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1C21c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)C3C5)cccc21
InChIInChI=1S/C57H49N/c1-34-24-26-45-49(28-34)55(3,4)50-29-35(2)25-27-46(50)57(45)44-20-11-9-17-42(44)53-47(57)21-13-22-51(53)58(39-14-6-5-7-15-39)52-23-12-18-41-40-16-8-10-19-43(40)56(54(41)52)38-31-36-30-37(33-38)48(56)32-36/h5-29,36-38,48H,30-33H2,1-4H3
InChIKeyLYGMAMBFPKWQIG-UHFFFAOYSA-N
MW748.03 g/mol
LogP14.11
Rot. Bonds3

About 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine

2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine (PubChem CID 155409026) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine.

Molecular Properties

Compound Name2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine
PubChem CID155409026
Molecular FormulaC57H49N
Molecular Weight748.03 g/mol
Exact Mass747.39
IUPAC Name2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1C21c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)C3C5)cccc21
InChIInChI=1S/C57H49N/c1-34-24-26-45-49(28-34)55(3,4)50-29-35(2)25-27-46(50)57(45)44-20-11-9-17-42(44)53-47(57)21-13-22-51(53)58(39-14-6-5-7-15-39)52-23-12-18-41-40-16-8-10-19-43(40)56(54(41)52)38-31-36-30-37(33-38)48(56)32-36/h5-29,36-38,48H,30-33H2,1-4H3
InChIKeyLYGMAMBFPKWQIG-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.03
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-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

9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773
N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
CID 155041623
CID 118153721
CID 118153721
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538707
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971
N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167177633
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 123227044
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567982

Frequently Asked Questions

What is the IUPAC name of 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine?
The IUPAC name of 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine (CID 155409026) is 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine.
What is the SMILES notation for 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine?
The canonical SMILES for 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine is Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1C21c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)C3C5)cccc21.
What is the InChIKey of 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine?
The InChIKey is LYGMAMBFPKWQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-34-24-26-45-49(28-34)55(3,4)50-29-35(2)25-27-46(50)57(45)44-20-11-9-17-42(44)53-47(57)21-13-22-51(53)58(39-14-6-5-7-15-39)52-23-12-18-41-40-16-8-10-19-43(40)56(54(41)52)38-31-36-30-37(33-38)48(56)32-36/h5-29,36-38,48H,30-33H2,1-4H3.
What are the key properties of 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine?
2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine has a molecular weight of 748.03 g/mol, XLogP of 14.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine is sourced from PubChem (CID 155409026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).