9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine

C58H41N — CID 171450978

IUPAC9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C58H41N/c1-57(2)51-20-10-6-16-45(51)49-34-33-44(37-56(49)57)59(42-29-24-39(25-30-42)38-14-4-3-5-15-38)43-31-26-40(27-32-43)41-28-35-55-50(36-41)48-19-9-13-23-54(48)58(55)52-21-11-7-17-46(52)47-18-8-12-22-53(47)58/h3-37H,1-2H3/i24D,25D,26D,27D,29D,30D,31D,32D
InChIKeyNMHFEPXHTCEKIZ-TVWALIPGSA-N
MW760.02 g/mol
LogP15.14
Rot. Bonds5

About 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine (PubChem CID 171450978) has the molecular formula C58H41N and a molecular weight of 760.02 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
PubChem CID171450978
Molecular FormulaC58H41N
Molecular Weight760.02 g/mol
Exact Mass759.37
IUPAC Name9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C58H41N/c1-57(2)51-20-10-6-16-45(51)49-34-33-44(37-56(49)57)59(42-29-24-39(25-30-42)38-14-4-3-5-15-38)43-31-26-40(27-32-43)41-28-35-55-50(36-41)48-19-9-13-23-54(48)58(55)52-21-11-7-17-46(52)47-18-8-12-22-53(47)58/h3-37H,1-2H3/i24D,25D,26D,27D,29D,30D,31D,32D
InChIKeyNMHFEPXHTCEKIZ-TVWALIPGSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.02
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 129263948
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine (CID 171450978) is 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2c([2H])c([2H])c(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c([2H])c2[2H])c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
The InChIKey is NMHFEPXHTCEKIZ-TVWALIPGSA-N. The full InChI is InChI=1S/C58H41N/c1-57(2)51-20-10-6-16-45(51)49-34-33-44(37-56(49)57)59(42-29-24-39(25-30-42)38-14-4-3-5-15-38)43-31-26-40(27-32-43)41-28-35-55-50(36-41)48-19-9-13-23-54(48)58(55)52-21-11-7-17-46(52)47-18-8-12-22-53(47)58/h3-37H,1-2H3/i24D,25D,26D,27D,29D,30D,31D,32D.
What are the key properties of 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine has a molecular weight of 760.02 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171450978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).