2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

C65H52N2 — CID 168791282

IUPAC2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc42)c2ccccc2-3)c(C2CC3CCC2C3)c1[2H]
InChIInChI=1S/C65H52N2/c1-64(2)57-25-13-9-21-49(57)52-34-31-46(39-60(52)64)66(44-17-5-3-6-18-44)47-32-35-53-50-22-10-14-26-58(50)65(61(53)40-47)59-27-15-11-23-51(59)54-36-33-48(41-62(54)65)67(45-19-7-4-8-20-45)63-28-16-12-24-55(63)56-38-42-29-30-43(56)37-42/h3-28,31-36,39-43,56H,29-30,37-38H2,1-2H3/i12D,16D,24D,28D
InChIKeyOXEPAYBOSAELDW-CWXNAQOISA-N
MW865.17 g/mol
LogP17.18
Rot. Bonds7

About 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 168791282) has the molecular formula C65H52N2 and a molecular weight of 865.17 g/mol. Its IUPAC name is 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID168791282
Molecular FormulaC65H52N2
Molecular Weight865.17 g/mol
Exact Mass864.44
IUPAC Name2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc42)c2ccccc2-3)c(C2CC3CCC2C3)c1[2H]
InChIInChI=1S/C65H52N2/c1-64(2)57-25-13-9-21-49(57)52-34-31-46(39-60(52)64)66(44-17-5-3-6-18-44)47-32-35-53-50-22-10-14-26-58(50)65(61(53)40-47)59-27-15-11-23-51(59)54-36-33-48(41-62(54)65)67(45-19-7-4-8-20-45)63-28-16-12-24-55(63)56-38-42-29-30-43(56)37-42/h3-28,31-36,39-43,56H,29-30,37-38H2,1-2H3/i12D,16D,24D,28D
InChIKeyOXEPAYBOSAELDW-CWXNAQOISA-N
XLogP17.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.17
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine with MolForge

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Related Compounds

2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791349
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
2-N-(9,9-dimethylfluoren-3-yl)-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791512
2-N-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791499
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791364
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170538831
N-[4-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 165165116
3'-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-N'-(9,9-dimethylfluoren-3-yl)-4-N,4-N,4-N',3-tetraphenyl-9,9'-spirobi[fluorene]-4,4'-diamine
CID 168791831
5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660747
3-N-(9,9-dimethylfluoren-3-yl)-3-N'-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N'-diphenyl-9,9'-spirobi[fluorene]-3,3'-diamine
CID 168791521
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523

Frequently Asked Questions

What is the IUPAC name of 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (CID 168791282) is 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is [2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc42)c2ccccc2-3)c(C2CC3CCC2C3)c1[2H].
What is the InChIKey of 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is OXEPAYBOSAELDW-CWXNAQOISA-N. The full InChI is InChI=1S/C65H52N2/c1-64(2)57-25-13-9-21-49(57)52-34-31-46(39-60(52)64)66(44-17-5-3-6-18-44)47-32-35-53-50-22-10-14-26-58(50)65(61(53)40-47)59-27-15-11-23-51(59)54-36-33-48(41-62(54)65)67(45-19-7-4-8-20-45)63-28-16-12-24-55(63)56-38-42-29-30-43(56)37-42/h3-28,31-36,39-43,56H,29-30,37-38H2,1-2H3/i12D,16D,24D,28D.
What are the key properties of 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?
2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 865.17 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[2-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetradeuteriophenyl]-2-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 168791282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).