7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine

C58H53N — CID 146578864

IUPAC7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(C56CC7CC(CC(C7)C5)C6)ccc3-4)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C58H53N/c1-56(2)51-18-12-11-17-46(51)48-24-21-44(32-53(48)56)59(55-26-19-42(40-13-7-5-8-14-40)30-50(55)41-15-9-6-10-16-41)45-22-25-49-47-23-20-43(31-52(47)57(3,4)54(49)33-45)58-34-37-27-38(35-58)29-39(28-37)36-58/h5-26,30-33,37-39H,27-29,34-36H2,1-4H3
InChIKeyGPMMXDJLPCZIOH-UHFFFAOYSA-N
MW764.07 g/mol
LogP15.57
Rot. Bonds6

About 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine

7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 146578864) has the molecular formula C58H53N and a molecular weight of 764.07 g/mol. Its IUPAC name is 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID146578864
Molecular FormulaC58H53N
Molecular Weight764.07 g/mol
Exact Mass763.42
IUPAC Name7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(C56CC7CC(CC(C7)C5)C6)ccc3-4)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21
InChIInChI=1S/C58H53N/c1-56(2)51-18-12-11-17-46(51)48-24-21-44(32-53(48)56)59(55-26-19-42(40-13-7-5-8-14-40)30-50(55)41-15-9-6-10-16-41)45-22-25-49-47-23-20-43(31-52(47)57(3,4)54(49)33-45)58-34-37-27-38(35-58)29-39(28-37)36-58/h5-26,30-33,37-39H,27-29,34-36H2,1-4H3
InChIKeyGPMMXDJLPCZIOH-UHFFFAOYSA-N
XLogP15.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.07
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
CID 130203835
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
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 130203887
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-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[7-(1-adamantyl)-9,9-dimethylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145346070
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
CID 137414909
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057
N-[4-(1-adamantyl)-2,6-dimethylphenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-(1-adamantyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-4-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2,6-diphenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161274556
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061

Frequently Asked Questions

What is the IUPAC name of 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine (CID 146578864) is 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(C56CC7CC(CC(C7)C5)C6)ccc3-4)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21.
What is the InChIKey of 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is GPMMXDJLPCZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H53N/c1-56(2)51-18-12-11-17-46(51)48-24-21-44(32-53(48)56)59(55-26-19-42(40-13-7-5-8-14-40)30-50(55)41-15-9-6-10-16-41)45-22-25-49-47-23-20-43(31-52(47)57(3,4)54(49)33-45)58-34-37-27-38(35-58)29-39(28-37)36-58/h5-26,30-33,37-39H,27-29,34-36H2,1-4H3.
What are the key properties of 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine?
7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 764.07 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 146578864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).