N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine

C67H53N — CID 167413813

IUPACN-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4CCc4ccccc43)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C67H53N/c1-2-14-45(15-3-1)46-26-28-47(29-27-46)54-18-8-13-25-65(54)68(52-32-34-63-57(41-52)55-19-6-11-23-61(55)66(63)50-37-43-36-44(39-50)40-51(66)38-43)53-33-35-64-58(42-53)56-20-7-12-24-62(56)67(64)59-21-9-4-16-48(59)30-31-49-17-5-10-22-60(49)67/h1-29,32-35,41-44,50-51H,30-31,36-40H2
InChIKeyXJSRUPNBSJAGEF-UHFFFAOYSA-N
MW872.17 g/mol
LogP16.67
Rot. Bonds5

About N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine

N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine (PubChem CID 167413813) has the molecular formula C67H53N and a molecular weight of 872.17 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine.

Molecular Properties

Compound NameN-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine
PubChem CID167413813
Molecular FormulaC67H53N
Molecular Weight872.17 g/mol
Exact Mass871.42
IUPAC NameN-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4CCc4ccccc43)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C67H53N/c1-2-14-45(15-3-1)46-26-28-47(29-27-46)54-18-8-13-25-65(54)68(52-32-34-63-57(41-52)55-19-6-11-23-61(55)66(63)50-37-43-36-44(39-50)40-51(66)38-43)53-33-35-64-58(42-53)56-20-7-12-24-62(56)67(64)59-21-9-4-16-48(59)30-31-49-17-5-10-22-60(49)67/h1-29,32-35,41-44,50-51H,30-31,36-40H2
InChIKeyXJSRUPNBSJAGEF-UHFFFAOYSA-N
XLogP16.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.17
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine with MolForge

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Related Compounds

N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 174309937
6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168734200
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722342
CID 159077369
CID 159077369
N-phenanthren-9-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573590
N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475
N-[3-(9H-fluoren-9-yl)phenyl]-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573645
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
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
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413771

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine?
The IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine (CID 167413813) is N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine.
What is the SMILES notation for N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine?
The canonical SMILES for N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4CCc4ccccc43)c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine?
The InChIKey is XJSRUPNBSJAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N/c1-2-14-45(15-3-1)46-26-28-47(29-27-46)54-18-8-13-25-65(54)68(52-32-34-63-57(41-52)55-19-6-11-23-61(55)66(63)50-37-43-36-44(39-50)40-51(66)38-43)53-33-35-64-58(42-53)56-20-7-12-24-62(56)67(64)59-21-9-4-16-48(59)30-31-49-17-5-10-22-60(49)67/h1-29,32-35,41-44,50-51H,30-31,36-40H2.
What are the key properties of N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine?
N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine has a molecular weight of 872.17 g/mol, XLogP of 16.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine is sourced from PubChem (CID 167413813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).