N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine

C58H51N — CID 168722415

IUPACN-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1
InChIInChI=1S/C58H51N/c1-3-12-40(13-4-1)41-20-22-42(23-21-41)43-24-26-46(27-25-43)59(47-28-29-49-48-14-5-7-16-51(48)57(54(49)37-47)30-9-2-10-31-57)55-19-11-18-53-56(55)50-15-6-8-17-52(50)58(53)44-33-38-32-39(35-44)36-45(58)34-38/h1,3-8,11-29,37-39,44-45H,2,9-10,30-36H2
InChIKeyHLFSFIVMNMYMGO-UHFFFAOYSA-N
MW762.05 g/mol
LogP15.44
Rot. Bonds5

About N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine

N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 168722415) has the molecular formula C58H51N and a molecular weight of 762.05 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID168722415
Molecular FormulaC58H51N
Molecular Weight762.05 g/mol
Exact Mass761.40
IUPAC NameN-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1
InChIInChI=1S/C58H51N/c1-3-12-40(13-4-1)41-20-22-42(23-21-41)43-24-26-46(27-25-43)59(47-28-29-49-48-14-5-7-16-51(48)57(54(49)37-47)30-9-2-10-31-57)55-19-11-18-53-56(55)50-15-6-8-17-52(50)58(53)44-33-38-32-39(35-44)36-45(58)34-38/h1,3-8,11-29,37-39,44-45H,2,9-10,30-36H2
InChIKeyHLFSFIVMNMYMGO-UHFFFAOYSA-N
XLogP15.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.05
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168723059
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722293
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168723014
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722865
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722342
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722800
2,4,6-triethyl-N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine
CID 168722514
N-(4-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 168723097
N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722611
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (CID 168722415) is N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is HLFSFIVMNMYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N/c1-3-12-40(13-4-1)41-20-22-42(23-21-41)43-24-26-46(27-25-43)59(47-28-29-49-48-14-5-7-16-51(48)57(54(49)37-47)30-9-2-10-31-57)55-19-11-18-53-56(55)50-15-6-8-17-52(50)58(53)44-33-38-32-39(35-44)36-45(58)34-38/h1,3-8,11-29,37-39,44-45H,2,9-10,30-36H2.
What are the key properties of N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 762.05 g/mol, XLogP of 15.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 168722415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).