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

C51H45N — CID 168723059

IUPACN-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1
InChIInChI=1S/C51H45N/c1-2-12-35(13-3-1)36-14-10-15-39(31-36)52(40-22-23-42-41-16-4-6-18-44(41)50(47(42)32-40)24-8-9-25-50)48-21-11-20-46-49(48)43-17-5-7-19-45(43)51(46)37-27-33-26-34(29-37)30-38(51)28-33/h1-7,10-23,31-34,37-38H,8-9,24-30H2
InChIKeyGJTFEGUNUXUKAO-UHFFFAOYSA-N
MW671.93 g/mol
LogP13.39
Rot. Bonds4

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

N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 168723059) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID168723059
Molecular FormulaC51H45N
Molecular Weight671.93 g/mol
Exact Mass671.36
IUPAC NameN-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1
InChIInChI=1S/C51H45N/c1-2-12-35(13-3-1)36-14-10-15-39(31-36)52(40-22-23-42-41-16-4-6-18-44(41)50(47(42)32-40)24-8-9-25-50)48-21-11-20-46-49(48)43-17-5-7-19-45(43)51(46)37-27-33-26-34(29-37)30-38(51)28-33/h1-7,10-23,31-34,37-38H,8-9,24-30H2
InChIKeyGJTFEGUNUXUKAO-UHFFFAOYSA-N
XLogP13.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.93
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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]-4'-amine
CID 168722293
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168723014
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100
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-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722342
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
N-(3-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722683
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-(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-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine (CID 168723059) is N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is GJTFEGUNUXUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N/c1-2-12-35(13-3-1)36-14-10-15-39(31-36)52(40-22-23-42-41-16-4-6-18-44(41)50(47(42)32-40)24-8-9-25-50)48-21-11-20-46-49(48)43-17-5-7-19-45(43)51(46)37-27-33-26-34(29-37)30-38(51)28-33/h1-7,10-23,31-34,37-38H,8-9,24-30H2.
What are the key properties of N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine?
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 671.93 g/mol, XLogP of 13.39, 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[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 168723059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).