N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine

C40H35N — CID 155407255

IUPACN-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccc(-c3ccccc3Nc3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C40H35N/c1-2-8-28(9-3-1)29-14-16-30(17-15-29)34-10-5-7-13-39(34)41-33-18-19-38-36(25-33)35-11-4-6-12-37(35)40(38)31-21-26-20-27(23-31)24-32(40)22-26/h1-19,25-27,31-32,41H,20-24H2
InChIKeyASYDXFXBAOUBJU-UHFFFAOYSA-N
MW529.73 g/mol
LogP10.49
Rot. Bonds4

About N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine

N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 155407255) has the molecular formula C40H35N and a molecular weight of 529.73 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID155407255
Molecular FormulaC40H35N
Molecular Weight529.73 g/mol
Exact Mass529.28
IUPAC NameN-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccc(-c3ccccc3Nc3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C40H35N/c1-2-8-28(9-3-1)29-14-16-30(17-15-29)34-10-5-7-13-39(34)41-33-18-19-38-36(25-33)35-11-4-6-12-37(35)40(38)31-21-26-20-27(23-31)24-32(40)22-26/h1-19,25-27,31-32,41H,20-24H2
InChIKeyASYDXFXBAOUBJU-UHFFFAOYSA-N
XLogP10.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 510.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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]-2'-amine
CID 155409043
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
CID 155407627
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
CID 165001984
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
9,9-dimethyl-N-[2-[4-(2-tetracyclo[5.3.1.03,9.05,9]undecanyl)phenyl]phenyl]fluoren-3-amine
CID 156557087

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine (CID 155407255) is N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine is c1ccc(-c2ccc(-c3ccccc3Nc3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is ASYDXFXBAOUBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N/c1-2-8-28(9-3-1)29-14-16-30(17-15-29)34-10-5-7-13-39(34)41-33-18-19-38-36(25-33)35-11-4-6-12-37(35)40(38)31-21-26-20-27(23-31)24-32(40)22-26/h1-19,25-27,31-32,41H,20-24H2.
What are the key properties of N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine?
N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 529.73 g/mol, XLogP of 10.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 155407255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).