6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine

C69H57N — CID 167413777

IUPAC6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
SMILESCc1ccc2c(c1)CCc1cc(C)ccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C69H57N/c1-43-22-32-61-50(34-43)24-25-51-35-44(2)23-33-62(51)69(61)63-19-8-6-16-58(63)59-31-30-56(42-66(59)69)70(55-15-10-14-49(41-55)47-12-4-3-5-13-47)54-28-26-48(27-29-54)57-18-11-21-65-67(57)60-17-7-9-20-64(60)68(65)52-37-45-36-46(39-52)40-53(68)38-45/h3-23,26-35,41-42,45-46,52-53H,24-25,36-40H2,1-2H3
InChIKeyNYGPTRHIMKQGQF-UHFFFAOYSA-N
MW900.22 g/mol
LogP17.29
Rot. Bonds5

About 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine

6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine (PubChem CID 167413777) has the molecular formula C69H57N and a molecular weight of 900.22 g/mol. Its IUPAC name is 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine.

Molecular Properties

Compound Name6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
PubChem CID167413777
Molecular FormulaC69H57N
Molecular Weight900.22 g/mol
Exact Mass899.45
IUPAC Name6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
SMILESCc1ccc2c(c1)CCc1cc(C)ccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C69H57N/c1-43-22-32-61-50(34-43)24-25-51-35-44(2)23-33-62(51)69(61)63-19-8-6-16-58(63)59-31-30-56(42-66(59)69)70(55-15-10-14-49(41-55)47-12-4-3-5-13-47)54-28-26-48(27-29-54)57-18-11-21-65-67(57)60-17-7-9-20-64(60)68(65)52-37-45-36-46(39-52)40-53(68)38-45/h3-23,26-35,41-42,45-46,52-53H,24-25,36-40H2,1-2H3
InChIKeyNYGPTRHIMKQGQF-UHFFFAOYSA-N
XLogP17.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.22
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine with MolForge

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Related Compounds

N-(4-methylphenyl)-N-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline
CID 158686920
6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
CID 167413746
CID 159077369
CID 159077369
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413771
N,5'-diphenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 176594820
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399626
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773

Frequently Asked Questions

What is the IUPAC name of 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine?
The IUPAC name of 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine (CID 167413777) is 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine.
What is the SMILES notation for 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine?
The canonical SMILES for 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine is Cc1ccc2c(c1)CCc1cc(C)ccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine?
The InChIKey is NYGPTRHIMKQGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57N/c1-43-22-32-61-50(34-43)24-25-51-35-44(2)23-33-62(51)69(61)63-19-8-6-16-58(63)59-31-30-56(42-66(59)69)70(55-15-10-14-49(41-55)47-12-4-3-5-13-47)54-28-26-48(27-29-54)57-18-11-21-65-67(57)60-17-7-9-20-64(60)68(65)52-37-45-36-46(39-52)40-53(68)38-45/h3-23,26-35,41-42,45-46,52-53H,24-25,36-40H2,1-2H3.
What are the key properties of 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine?
6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine has a molecular weight of 900.22 g/mol, XLogP of 17.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine is sourced from PubChem (CID 167413777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).