N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine

C55H47N — CID 170085916

IUPACN-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C55H47N/c1-54(2)50-19-10-9-18-46(50)47-23-21-45(34-53(47)54)56(43-17-11-16-39(31-43)37-12-5-3-6-13-37)44-22-25-52-49(33-44)48-32-40(38-14-7-4-8-15-38)20-24-51(48)55(52)41-27-35-26-36(29-41)30-42(55)28-35/h3-25,31-36,41-42H,26-30H2,1-2H3
InChIKeyZKCBYBRWKXADCM-UHFFFAOYSA-N
MW721.99 g/mol
LogP14.52
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (PubChem CID 170085916) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
PubChem CID170085916
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C55H47N/c1-54(2)50-19-10-9-18-46(50)47-23-21-45(34-53(47)54)56(43-17-11-16-39(31-43)37-12-5-3-6-13-37)44-22-25-52-49(33-44)48-32-40(38-14-7-4-8-15-38)20-24-51(48)55(52)41-27-35-26-36(29-41)30-42(55)28-35/h3-25,31-36,41-42H,26-30H2,1-2H3
InChIKeyZKCBYBRWKXADCM-UHFFFAOYSA-N
XLogP14.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(3-naphthalen-1-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-phenanthren-2-ylphenyl)-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 157226955
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-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216650
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-amine
CID 170085576

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine (CID 170085916) is N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
The InChIKey is ZKCBYBRWKXADCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-54(2)50-19-10-9-18-46(50)47-23-21-45(34-53(47)54)56(43-17-11-16-39(31-43)37-12-5-3-6-13-37)44-22-25-52-49(33-44)48-32-40(38-14-7-4-8-15-38)20-24-51(48)55(52)41-27-35-26-36(29-41)30-42(55)28-35/h3-25,31-36,41-42H,26-30H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine has a molecular weight of 721.99 g/mol, XLogP of 14.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 170085916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).