N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C55H49N — CID 130197569

IUPACN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H49N/c1-54(2)51-14-8-6-13-49(51)50-29-28-47(33-52(50)54)56(53-15-9-7-12-48(53)44-10-4-3-5-11-44)46-26-22-43(23-27-46)41-18-16-40(17-19-41)42-20-24-45(25-21-42)55-34-37-30-38(35-55)32-39(31-37)36-55/h3-29,33,37-39H,30-32,34-36H2,1-2H3
InChIKeyYJUWNUYWJKJLKL-UHFFFAOYSA-N
MW724.00 g/mol
LogP14.93
Rot. Bonds7

About N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 130197569) has the molecular formula C55H49N and a molecular weight of 724.00 g/mol. Its IUPAC name is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID130197569
Molecular FormulaC55H49N
Molecular Weight724.00 g/mol
Exact Mass723.39
IUPAC NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H49N/c1-54(2)51-14-8-6-13-49(51)50-29-28-47(33-52(50)54)56(53-15-9-7-12-48(53)44-10-4-3-5-11-44)46-26-22-43(23-27-46)41-18-16-40(17-19-41)42-20-24-45(25-21-42)55-34-37-30-38(35-55)32-39(31-37)36-55/h3-29,33,37-39H,30-32,34-36H2,1-2H3
InChIKeyYJUWNUYWJKJLKL-UHFFFAOYSA-N
XLogP14.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.00
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 146578864
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159446376
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
CID 130203835
N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 156556632
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130203868
N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 158067288
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 130197569) is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is YJUWNUYWJKJLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49N/c1-54(2)51-14-8-6-13-49(51)50-29-28-47(33-52(50)54)56(53-15-9-7-12-48(53)44-10-4-3-5-11-44)46-26-22-43(23-27-46)41-18-16-40(17-19-41)42-20-24-45(25-21-42)55-34-37-30-38(35-55)32-39(31-37)36-55/h3-29,33,37-39H,30-32,34-36H2,1-2H3.
What are the key properties of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 724.00 g/mol, XLogP of 14.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 130197569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).