N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

C49H47N — CID 170446806

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESCC(C)c1cc2c(cc1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)C(C)(C)c1ccccc1-4)C(C)(C)c1ccccc1-3)CCCC2
InChIInChI=1S/C49H47N/c1-31(2)39-26-32-16-10-11-17-33(32)27-40(39)42-29-41-37-21-13-15-23-44(37)49(5,6)46(41)30-47(42)50(34-18-8-7-9-19-34)35-24-25-38-36-20-12-14-22-43(36)48(3,4)45(38)28-35/h7-9,12-15,18-31H,10-11,16-17H2,1-6H3
InChIKeyRYAAHWNKDSIAGE-UHFFFAOYSA-N
MW649.92 g/mol
LogP13.44
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170446806) has the molecular formula C49H47N and a molecular weight of 649.92 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
PubChem CID170446806
Molecular FormulaC49H47N
Molecular Weight649.92 g/mol
Exact Mass649.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESCC(C)c1cc2c(cc1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)C(C)(C)c1ccccc1-4)C(C)(C)c1ccccc1-3)CCCC2
InChIInChI=1S/C49H47N/c1-31(2)39-26-32-16-10-11-17-33(32)27-40(39)42-29-41-37-21-13-15-23-44(37)49(5,6)46(41)30-47(42)50(34-18-8-7-9-19-34)35-24-25-38-36-20-12-14-22-43(36)48(3,4)45(38)28-35/h7-9,12-15,18-31H,10-11,16-17H2,1-6H3
InChIKeyRYAAHWNKDSIAGE-UHFFFAOYSA-N
XLogP13.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.92
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)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-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 170449270
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446758
9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445163
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445211
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446751
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446938
9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170446596
9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445422
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445836
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (CID 170446806) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is CC(C)c1cc2c(cc1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)C(C)(C)c1ccccc1-4)C(C)(C)c1ccccc1-3)CCCC2.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The InChIKey is RYAAHWNKDSIAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47N/c1-31(2)39-26-32-16-10-11-17-33(32)27-40(39)42-29-41-37-21-13-15-23-44(37)49(5,6)46(41)30-47(42)50(34-18-8-7-9-19-34)35-24-25-38-36-20-12-14-22-43(36)48(3,4)45(38)28-35/h7-9,12-15,18-31H,10-11,16-17H2,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 649.92 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170446806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).