N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine

C46H43N — CID 168722611

IUPACN-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32CCCCC2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C46H43N/c1-3-11-34(12-4-1)47(35-18-20-42-40(28-35)38-14-5-7-15-41(38)45(42)21-9-2-10-22-45)36-17-19-39-37-13-6-8-16-43(37)46(44(39)29-36)32-24-30-23-31(26-32)27-33(46)25-30/h1,3-8,11-20,28-33H,2,9-10,21-27H2
InChIKeyXFWCXDCODIPKGA-UHFFFAOYSA-N
MW609.86 g/mol
LogP12.11
Rot. Bonds3

About N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine

N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 168722611) has the molecular formula C46H43N and a molecular weight of 609.86 g/mol. Its IUPAC name is N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID168722611
Molecular FormulaC46H43N
Molecular Weight609.86 g/mol
Exact Mass609.34
IUPAC NameN-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32CCCCC2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C46H43N/c1-3-11-34(12-4-1)47(35-18-20-42-40(28-35)38-14-5-7-15-41(38)45(42)21-9-2-10-22-45)36-17-19-39-37-13-6-8-16-43(37)46(44(39)29-36)32-24-30-23-31(26-32)27-33(46)25-30/h1,3-8,11-20,28-33H,2,9-10,21-27H2
InChIKeyXFWCXDCODIPKGA-UHFFFAOYSA-N
XLogP12.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.86
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[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-(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-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
N-(3-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722683
N-(4-naphthalen-2-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722677
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-(9,9-dimethylfluoren-2-yl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
CID 168722320
N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 176595499

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine (CID 168722611) is N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32CCCCC2)c2ccc3c(c2)C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is XFWCXDCODIPKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N/c1-3-11-34(12-4-1)47(35-18-20-42-40(28-35)38-14-5-7-15-41(38)45(42)21-9-2-10-22-45)36-17-19-39-37-13-6-8-16-43(37)46(44(39)29-36)32-24-30-23-31(26-32)27-33(46)25-30/h1,3-8,11-20,28-33H,2,9-10,21-27H2.
What are the key properties of N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 609.86 g/mol, XLogP of 12.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 168722611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).