N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine

C52H51N — CID 168722546

IUPACN-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)c2cccc3c2C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)cc1
InChIInChI=1S/C52H51N/c1-2-9-40(10-3-1)53(41-21-22-44-42-11-4-6-14-46(42)51(48(44)31-41)36-19-17-32-23-34(27-36)29-38(51)25-32)49-16-8-13-45-43-12-5-7-15-47(43)52(50(45)49)37-20-18-33-24-35(28-37)30-39(52)26-33/h1-16,21-22,31-39H,17-20,23-30H2
InChIKeyRUZWRSWVXYBVLT-UHFFFAOYSA-N
MW689.99 g/mol
LogP13.38
Rot. Bonds3

About N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine

N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine (PubChem CID 168722546) has the molecular formula C52H51N and a molecular weight of 689.99 g/mol. Its IUPAC name is N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
PubChem CID168722546
Molecular FormulaC52H51N
Molecular Weight689.99 g/mol
Exact Mass689.40
IUPAC NameN-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)c2cccc3c2C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)cc1
InChIInChI=1S/C52H51N/c1-2-9-40(10-3-1)53(41-21-22-44-42-11-4-6-14-46(42)51(48(44)31-41)36-19-17-32-23-34(27-36)29-38(51)25-32)49-16-8-13-45-43-12-5-7-15-47(43)52(50(45)49)37-20-18-33-24-35(28-37)30-39(52)26-33/h1-16,21-22,31-39H,17-20,23-30H2
InChIKeyRUZWRSWVXYBVLT-UHFFFAOYSA-N
XLogP13.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.99
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 167056455
N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567982
N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-yldibenzofuran-1-amine
CID 168722735
N-(9,9-dimethylfluoren-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722400
N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine
CID 155407455
N-naphthalen-1-yl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722690
N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 168723067
N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine?
The IUPAC name of N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine (CID 168722546) is N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine.
What is the SMILES notation for N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine?
The canonical SMILES for N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)c2cccc3c2C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine?
The InChIKey is RUZWRSWVXYBVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N/c1-2-9-40(10-3-1)53(41-21-22-44-42-11-4-6-14-46(42)51(48(44)31-41)36-19-17-32-23-34(27-36)29-38(51)25-32)49-16-8-13-45-43-12-5-7-15-47(43)52(50(45)49)37-20-18-33-24-35(28-37)30-39(52)26-33/h1-16,21-22,31-39H,17-20,23-30H2.
What are the key properties of N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine?
N-phenyl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine has a molecular weight of 689.99 g/mol, XLogP of 13.38, 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[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-1-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-amine is sourced from PubChem (CID 168722546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).