N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine

C39H33N — CID 155407627

IUPACN-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
SMILESc1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)C3C5)cc2)cc1
InChIInChI=1S/C39H33N/c1-2-9-26(10-3-1)31-11-4-5-12-32(31)27-17-19-30(20-18-27)40-37-16-8-14-34-33-13-6-7-15-35(33)39(38(34)37)29-22-25-21-28(24-29)36(39)23-25/h1-20,25,28-29,36,40H,21-24H2
InChIKeyVCFKDXJSPGKLOQ-UHFFFAOYSA-N
MW515.70 g/mol
LogP10.10
Rot. Bonds4

About N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine

N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine (PubChem CID 155407627) has the molecular formula C39H33N and a molecular weight of 515.70 g/mol. Its IUPAC name is N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine.

Molecular Properties

Compound NameN-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
PubChem CID155407627
Molecular FormulaC39H33N
Molecular Weight515.70 g/mol
Exact Mass515.26
IUPAC NameN-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
SMILESc1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)C3C5)cc2)cc1
InChIInChI=1S/C39H33N/c1-2-9-26(10-3-1)31-11-4-5-12-32(31)27-17-19-30(20-18-27)40-37-16-8-14-34-33-13-6-7-15-35(33)39(38(34)37)29-22-25-21-28(24-29)36(39)23-25/h1-20,25,28-29,36,40H,21-24H2
InChIKeyVCFKDXJSPGKLOQ-UHFFFAOYSA-N
XLogP10.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155409043
N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 155407255
3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]
CID 170085615
N-[3-(3-phenylphenyl)phenyl]-2-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)aniline
CID 167413755
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine
CID 156577191
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 166807941
9-(2-phenylphenyl)-3-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylcarbazole
CID 156577016
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
CID 155041623

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine?
The IUPAC name of N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine (CID 155407627) is N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine.
What is the SMILES notation for N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine?
The canonical SMILES for N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine is c1ccc(-c2ccccc2-c2ccc(Nc3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)C3C5)cc2)cc1.
What is the InChIKey of N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine?
The InChIKey is VCFKDXJSPGKLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N/c1-2-9-26(10-3-1)31-11-4-5-12-32(31)27-17-19-30(20-18-27)40-37-16-8-14-34-33-13-6-7-15-35(33)39(38(34)37)29-22-25-21-28(24-29)36(39)23-25/h1-20,25,28-29,36,40H,21-24H2.
What are the key properties of N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine?
N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine has a molecular weight of 515.70 g/mol, XLogP of 10.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine is sourced from PubChem (CID 155407627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).