N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine

C58H47N — CID 177124721

IUPACN-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILES[2H]C1(c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)CCCCC1
InChIInChI=1S/C58H47N/c1-57(2)51-24-12-8-20-45(51)49-34-32-41(36-55(49)57)59(40-30-28-39(29-31-40)44-19-7-6-18-43(44)38-16-4-3-5-17-38)42-33-35-50-48-23-11-15-27-54(48)58(56(50)37-42)52-25-13-9-21-46(52)47-22-10-14-26-53(47)58/h6-15,18-38H,3-5,16-17H2,1-2H3/i38D
InChIKeyXDSFISOYDBXDFB-WKBHQJRHSA-N
MW759.03 g/mol
LogP15.52
Rot. Bonds5

About N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine

N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 177124721) has the molecular formula C58H47N and a molecular weight of 759.03 g/mol. Its IUPAC name is N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID177124721
Molecular FormulaC58H47N
Molecular Weight759.03 g/mol
Exact Mass758.38
IUPAC NameN-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILES[2H]C1(c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)CCCCC1
InChIInChI=1S/C58H47N/c1-57(2)51-24-12-8-20-45(51)49-34-32-41(36-55(49)57)59(40-30-28-39(29-31-40)44-19-7-6-18-43(44)38-16-4-3-5-17-38)42-33-35-50-48-23-11-15-27-54(48)58(56(50)37-42)52-25-13-9-21-46(52)47-22-10-14-26-53(47)58/h6-15,18-38H,3-5,16-17H2,1-2H3/i38D
InChIKeyXDSFISOYDBXDFB-WKBHQJRHSA-N
XLogP15.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.03
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
2-tert-butyl-N-[4-[4-(1-deuteriocyclopentyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 161062605
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
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791446
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
CID 159813005
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (CID 177124721) is N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine is [2H]C1(c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)CCCCC1.
What is the InChIKey of N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is XDSFISOYDBXDFB-WKBHQJRHSA-N. The full InChI is InChI=1S/C58H47N/c1-57(2)51-24-12-8-20-45(51)49-34-32-41(36-55(49)57)59(40-30-28-39(29-31-40)44-19-7-6-18-43(44)38-16-4-3-5-17-38)42-33-35-50-48-23-11-15-27-54(48)58(56(50)37-42)52-25-13-9-21-46(52)47-22-10-14-26-53(47)58/h6-15,18-38H,3-5,16-17H2,1-2H3/i38D.
What are the key properties of N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine?
N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 759.03 g/mol, XLogP of 15.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 177124721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).