N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine

C49H42FN — CID 168734127

IUPACN-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(F)c3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C49H42FN/c1-48(2)43-15-6-3-13-39(43)41-20-19-37(29-46(41)48)51(36-11-9-10-35(50)28-36)47-17-8-5-12-38(47)32-18-21-45-42(27-32)40-14-4-7-16-44(40)49(45)33-23-30-22-31(25-33)26-34(49)24-30/h3-21,27-31,33-34H,22-26H2,1-2H3
InChIKeyOCELTUQMYDYKDN-UHFFFAOYSA-N
MW663.88 g/mol
LogP12.99
Rot. Bonds4

About N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine

N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine (PubChem CID 168734127) has the molecular formula C49H42FN and a molecular weight of 663.88 g/mol. Its IUPAC name is N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
PubChem CID168734127
Molecular FormulaC49H42FN
Molecular Weight663.88 g/mol
Exact Mass663.33
IUPAC NameN-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(F)c3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C49H42FN/c1-48(2)43-15-6-3-13-39(43)41-20-19-37(29-46(41)48)51(36-11-9-10-35(50)28-36)47-17-8-5-12-38(47)32-18-21-45-42(27-32)40-14-4-7-16-44(40)49(45)33-23-30-22-31(25-33)26-34(49)24-30/h3-21,27-31,33-34H,22-26H2,1-2H3
InChIKeyOCELTUQMYDYKDN-UHFFFAOYSA-N
XLogP12.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.88
LogP ≤ 512.99
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
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
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-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-3-yl)-N-(3-fluorophenyl)-N-phenylaniline
CID 166987841
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
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine (CID 168734127) is N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(F)c3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine?
The InChIKey is OCELTUQMYDYKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42FN/c1-48(2)43-15-6-3-13-39(43)41-20-19-37(29-46(41)48)51(36-11-9-10-35(50)28-36)47-17-8-5-12-38(47)32-18-21-45-42(27-32)40-14-4-7-16-44(40)49(45)33-23-30-22-31(25-33)26-34(49)24-30/h3-21,27-31,33-34H,22-26H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine?
N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine has a molecular weight of 663.88 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-9,9-dimethyl-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 168734127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).