N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine

C52H47N — CID 168722293

IUPACN-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43CCCCC3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1
InChIInChI=1S/C52H47N/c1-3-13-36(14-4-1)37-15-11-16-40(32-37)53(41-23-24-46-44(33-41)42-17-5-7-19-45(42)51(46)25-9-2-10-26-51)49-22-12-21-48-50(49)43-18-6-8-20-47(43)52(48)38-28-34-27-35(30-38)31-39(52)29-34/h1,3-8,11-24,32-35,38-39H,2,9-10,25-31H2
InChIKeyXEEYKZIQUVNCSD-UHFFFAOYSA-N
MW685.96 g/mol
LogP13.78
Rot. Bonds4

About N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine

N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 168722293) has the molecular formula C52H47N and a molecular weight of 685.96 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID168722293
Molecular FormulaC52H47N
Molecular Weight685.96 g/mol
Exact Mass685.37
IUPAC NameN-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43CCCCC3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1
InChIInChI=1S/C52H47N/c1-3-13-36(14-4-1)37-15-11-16-40(32-37)53(41-23-24-46-44(33-41)42-17-5-7-19-45(42)51(46)25-9-2-10-26-51)49-22-12-21-48-50(49)43-18-6-8-20-47(43)52(48)38-28-34-27-35(30-38)31-39(52)29-34/h1,3-8,11-24,32-35,38-39H,2,9-10,25-31H2
InChIKeyXEEYKZIQUVNCSD-UHFFFAOYSA-N
XLogP13.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.96
LogP ≤ 513.78
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-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722415
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722800
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[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168723014
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
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
1-N,6-N-diphenyl-6-N-spiro[adamantane-2,9'-fluorene]-3'-yl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 166050368
N-phenanthren-2-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 168722503
N-(9,9-dimethylfluoren-3-yl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722678

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (CID 168722293) is N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43CCCCC3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is XEEYKZIQUVNCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N/c1-3-13-36(14-4-1)37-15-11-16-40(32-37)53(41-23-24-46-44(33-41)42-17-5-7-19-45(42)51(46)25-9-2-10-26-51)49-22-12-21-48-50(49)43-18-6-8-20-47(43)52(48)38-28-34-27-35(30-38)31-39(52)29-34/h1,3-8,11-24,32-35,38-39H,2,9-10,25-31H2.
What are the key properties of N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 685.96 g/mol, XLogP of 13.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 168722293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).