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

C53H49N — CID 177067906

IUPACN-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc2c(cc1C(C)(C)C)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C53H49N/c1-34-31-43-48(33-46(34)51(2,3)4)53(7,8)45-23-16-21-42(50(43)45)41-20-13-15-24-49(41)54(37-27-25-36(26-28-37)35-17-10-9-11-18-35)38-29-30-40-39-19-12-14-22-44(39)52(5,6)47(40)32-38/h9-33H,1-8H3
InChIKeyCPLYKODHOUNYKQ-UHFFFAOYSA-N
MW699.98 g/mol
LogP14.71
Rot. Bonds5

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

N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 177067906) has the molecular formula C53H49N and a molecular weight of 699.98 g/mol. Its IUPAC name is N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID177067906
Molecular FormulaC53H49N
Molecular Weight699.98 g/mol
Exact Mass699.39
IUPAC NameN-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc2c(cc1C(C)(C)C)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C53H49N/c1-34-31-43-48(33-46(34)51(2,3)4)53(7,8)45-23-16-21-42(50(43)45)41-20-13-15-24-49(41)54(37-27-25-36(26-28-37)35-17-10-9-11-18-35)38-29-30-40-39-19-12-14-22-44(39)52(5,6)47(40)32-38/h9-33H,1-8H3
InChIKeyCPLYKODHOUNYKQ-UHFFFAOYSA-N
XLogP14.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.98
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)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

N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170141356
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
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
2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 177067952
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 170143912
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-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 177067906) is N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1cc2c(cc1C(C)(C)C)C(C)(C)c1cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2.
What is the InChIKey of N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is CPLYKODHOUNYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49N/c1-34-31-43-48(33-46(34)51(2,3)4)53(7,8)45-23-16-21-42(50(43)45)41-20-13-15-24-49(41)54(37-27-25-36(26-28-37)35-17-10-9-11-18-35)38-29-30-40-39-19-12-14-22-44(39)52(5,6)47(40)32-38/h9-33H,1-8H3.
What are the key properties of N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 699.98 g/mol, XLogP of 14.71, 5 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-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177067906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).