N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine

C39H35N — CID 167056455

IUPACN-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32C3CCC4CC(C3)CC2C4)cc1
InChIInChI=1S/C39H35N/c1-2-11-32(12-3-1)40(33-20-18-28-9-4-5-10-29(28)25-33)37-16-8-15-36-38(37)34-13-6-7-14-35(34)39(36)30-19-17-26-21-27(23-30)24-31(39)22-26/h1-16,18,20,25-27,30-31H,17,19,21-24H2
InChIKeyIRIHAHCCJYWQIT-UHFFFAOYSA-N
MW517.72 g/mol
LogP10.42
Rot. Bonds3

About N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine

N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine (PubChem CID 167056455) has the molecular formula C39H35N and a molecular weight of 517.72 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
PubChem CID167056455
Molecular FormulaC39H35N
Molecular Weight517.72 g/mol
Exact Mass517.28
IUPAC NameN-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32C3CCC4CC(C3)CC2C4)cc1
InChIInChI=1S/C39H35N/c1-2-11-32(12-3-1)40(33-20-18-28-9-4-5-10-29(28)25-33)37-16-8-15-36-38(37)34-13-6-7-14-35(34)39(36)30-19-17-26-21-27(23-30)24-31(39)22-26/h1-16,18,20,25-27,30-31H,17,19,21-24H2
InChIKeyIRIHAHCCJYWQIT-UHFFFAOYSA-N
XLogP10.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.72
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460
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-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 170117281
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 170117277
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-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
6-N-(9,9-dimethylfluoren-2-yl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 156533302
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
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-(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-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 176596121

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine (CID 167056455) is N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine is c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32C3CCC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine?
The InChIKey is IRIHAHCCJYWQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N/c1-2-11-32(12-3-1)40(33-20-18-28-9-4-5-10-29(28)25-33)37-16-8-15-36-38(37)34-13-6-7-14-35(34)39(36)30-19-17-26-21-27(23-30)24-31(39)22-26/h1-16,18,20,25-27,30-31H,17,19,21-24H2.
What are the key properties of N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine?
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine has a molecular weight of 517.72 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine is sourced from PubChem (CID 167056455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).