9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine

C61H54N2 — CID 168744555

IUPAC9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)C5CC6CC(C5)CC4C6)cc3)cc21
InChIInChI=1S/C61H54N2/c1-60(2)58-21-13-12-20-56(58)57-35-34-55(41-59(57)60)63(51-18-10-5-11-19-51)54-32-26-47(27-33-54)61(48-37-42-36-43(39-48)40-49(61)38-42)46-24-30-53(31-25-46)62(50-16-8-4-9-17-50)52-28-22-45(23-29-52)44-14-6-3-7-15-44/h3-35,41-43,48-49H,36-40H2,1-2H3
InChIKeyOHVUHILNISLXIF-UHFFFAOYSA-N
MW815.12 g/mol
LogP16.34
Rot. Bonds9

About 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine (PubChem CID 168744555) has the molecular formula C61H54N2 and a molecular weight of 815.12 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
PubChem CID168744555
Molecular FormulaC61H54N2
Molecular Weight815.12 g/mol
Exact Mass814.43
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)C5CC6CC(C5)CC4C6)cc3)cc21
InChIInChI=1S/C61H54N2/c1-60(2)58-21-13-12-20-56(58)57-35-34-55(41-59(57)60)63(51-18-10-5-11-19-51)54-32-26-47(27-33-54)61(48-37-42-36-43(39-48)40-49(61)38-42)46-24-30-53(31-25-46)62(50-16-8-4-9-17-50)52-28-22-45(23-29-52)44-14-6-3-7-15-44/h3-35,41-43,48-49H,36-40H2,1-2H3
InChIKeyOHVUHILNISLXIF-UHFFFAOYSA-N
XLogP16.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.12
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
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-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine (CID 168744555) is 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)C5CC6CC(C5)CC4C6)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine?
The InChIKey is OHVUHILNISLXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54N2/c1-60(2)58-21-13-12-20-56(58)57-35-34-55(41-59(57)60)63(51-18-10-5-11-19-51)54-32-26-47(27-33-54)61(48-37-42-36-43(39-48)40-49(61)38-42)46-24-30-53(31-25-46)62(50-16-8-4-9-17-50)52-28-22-45(23-29-52)44-14-6-3-7-15-44/h3-35,41-43,48-49H,36-40H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine has a molecular weight of 815.12 g/mol, XLogP of 16.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 168744555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).