N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine

C43H39N — CID 156567349

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C43H39N/c1-42(2)37-16-8-6-13-33(37)35-20-19-32(26-39(35)42)44(31-11-4-3-5-12-31)40-18-10-15-36-34-14-7-9-17-38(34)43(41(36)40)29-22-27-21-28(24-29)25-30(43)23-27/h3-20,26-30H,21-25H2,1-2H3
InChIKeyTZPIMDBSUNIYGO-UHFFFAOYSA-N
MW569.79 g/mol
LogP11.19
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine (PubChem CID 156567349) has the molecular formula C43H39N and a molecular weight of 569.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
PubChem CID156567349
Molecular FormulaC43H39N
Molecular Weight569.79 g/mol
Exact Mass569.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C43H39N/c1-42(2)37-16-8-6-13-33(37)35-20-19-32(26-39(35)42)44(31-11-4-3-5-12-31)40-18-10-15-36-34-14-7-9-17-38(34)43(41(36)40)29-22-27-21-28(24-29)25-30(43)23-27/h3-20,26-30H,21-25H2,1-2H3
InChIKeyTZPIMDBSUNIYGO-UHFFFAOYSA-N
XLogP11.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-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
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
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
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
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-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
N-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567982

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine (CID 156567349) is N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine?
The InChIKey is TZPIMDBSUNIYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N/c1-42(2)37-16-8-6-13-33(37)35-20-19-32(26-39(35)42)44(31-11-4-3-5-12-31)40-18-10-15-36-34-14-7-9-17-38(34)43(41(36)40)29-22-27-21-28(24-29)25-30(43)23-27/h3-20,26-30H,21-25H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine has a molecular weight of 569.79 g/mol, XLogP of 11.19, 3 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)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine is sourced from PubChem (CID 156567349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).