3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

C62H55N — CID 170449442

IUPAC3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1cccc4c1C(C)(C)CCC4(C)C)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2
InChIInChI=1S/C62H55N/c1-40-30-31-43-20-9-10-21-45(43)58(40)50-38-49-48-24-13-16-27-53(48)62(51-25-14-11-22-46(51)47-23-12-15-26-52(47)62)55(49)39-57(50)63(44-34-32-42(33-35-44)41-18-7-6-8-19-41)56-29-17-28-54-59(56)61(4,5)37-36-60(54,2)3/h6-8,11-19,22-35,38-39H,9-10,20-21,36-37H2,1-5H3
InChIKeyLFBJJPLWMXWUPV-UHFFFAOYSA-N
MW814.13 g/mol
LogP16.37
Rot. Bonds5

About 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170449442) has the molecular formula C62H55N and a molecular weight of 814.13 g/mol. Its IUPAC name is 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170449442
Molecular FormulaC62H55N
Molecular Weight814.13 g/mol
Exact Mass813.43
IUPAC Name3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1cccc4c1C(C)(C)CCC4(C)C)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2
InChIInChI=1S/C62H55N/c1-40-30-31-43-20-9-10-21-45(43)58(40)50-38-49-48-24-13-16-27-53(48)62(51-25-14-11-22-46(51)47-23-12-15-26-52(47)62)55(49)39-57(50)63(44-34-32-42(33-35-44)41-18-7-6-8-19-41)56-29-17-28-54-59(56)61(4,5)37-36-60(54,2)3/h6-8,11-19,22-35,38-39H,9-10,20-21,36-37H2,1-5H3
InChIKeyLFBJJPLWMXWUPV-UHFFFAOYSA-N
XLogP16.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.13
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-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

3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449441
3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170448782
N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170447411
9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170448045
N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447384
N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448795
9,9-diphenyl-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-2-propan-2-yl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170448842
N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448208
3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170448816
N-(9,9-dimethylfluoren-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448968
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
N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449198

Frequently Asked Questions

What is the IUPAC name of 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170449442) is 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is Cc1ccc2c(c1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1cccc4c1C(C)(C)CCC4(C)C)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)CCCC2.
What is the InChIKey of 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is LFBJJPLWMXWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H55N/c1-40-30-31-43-20-9-10-21-45(43)58(40)50-38-49-48-24-13-16-27-53(48)62(51-25-14-11-22-46(51)47-23-12-15-26-52(47)62)55(49)39-57(50)63(44-34-32-42(33-35-44)41-18-7-6-8-19-41)56-29-17-28-54-59(56)61(4,5)37-36-60(54,2)3/h6-8,11-19,22-35,38-39H,9-10,20-21,36-37H2,1-5H3.
What are the key properties of 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 814.13 g/mol, XLogP of 16.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170449442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).