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

C51H45N — CID 168722342

IUPACN-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32CCCC2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C51H45N/c1-2-12-35(13-3-1)40-14-6-9-19-49(40)52(38-21-23-46-44(31-38)42-16-4-7-17-45(42)50(46)24-10-11-25-50)39-20-22-43-41-15-5-8-18-47(41)51(48(43)32-39)36-27-33-26-34(29-36)30-37(51)28-33/h1-9,12-23,31-34,36-37H,10-11,24-30H2
InChIKeyJTBVARAEQNCMIB-UHFFFAOYSA-N
MW671.93 g/mol
LogP13.39
Rot. Bonds4

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

N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 168722342) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID168722342
Molecular FormulaC51H45N
Molecular Weight671.93 g/mol
Exact Mass671.36
IUPAC NameN-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32CCCC2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C51H45N/c1-2-12-35(13-3-1)40-14-6-9-19-49(40)52(38-21-23-46-44(31-38)42-16-4-7-17-45(42)50(46)24-10-11-25-50)39-20-22-43-41-15-5-8-18-47(41)51(48(43)32-39)36-27-33-26-34(29-36)30-37(51)28-33/h1-9,12-23,31-34,36-37H,10-11,24-30H2
InChIKeyJTBVARAEQNCMIB-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-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722611
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-(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[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-(9,9-dimethylfluoren-3-yl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722678
N-(2-phenylphenyl)-N-(7'-phenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 174309937
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine (CID 168722342) is N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32CCCC2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is JTBVARAEQNCMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N/c1-2-12-35(13-3-1)40-14-6-9-19-49(40)52(38-21-23-46-44(31-38)42-16-4-7-17-45(42)50(46)24-10-11-25-50)39-20-22-43-41-15-5-8-18-47(41)51(48(43)32-39)36-27-33-26-34(29-36)30-37(51)28-33/h1-9,12-23,31-34,36-37H,10-11,24-30H2.
What are the key properties of N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-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-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 168722342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).