N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine

C47H51N — CID 162222684

IUPACN,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cccc21
InChIInChI=1S/C47H51N/c1-45(2)41-7-4-3-6-40(41)44-42(45)8-5-9-43(44)48(38-14-10-36(11-15-38)46-24-30-18-31(25-46)20-32(19-30)26-46)39-16-12-37(13-17-39)47-27-33-21-34(28-47)23-35(22-33)29-47/h3-17,30-35H,18-29H2,1-2H3
InChIKeyTURWCWWFHRNIDN-UHFFFAOYSA-N
MW629.93 g/mol
LogP12.40
Rot. Bonds5

About N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine

N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine (PubChem CID 162222684) has the molecular formula C47H51N and a molecular weight of 629.93 g/mol. Its IUPAC name is N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
PubChem CID162222684
Molecular FormulaC47H51N
Molecular Weight629.93 g/mol
Exact Mass629.40
IUPAC NameN,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cccc21
InChIInChI=1S/C47H51N/c1-45(2)41-7-4-3-6-40(41)44-42(45)8-5-9-43(44)48(38-14-10-36(11-15-38)46-24-30-18-31(25-46)20-32(19-30)26-46)39-16-12-37(13-17-39)47-27-33-21-34(28-47)23-35(22-33)29-47/h3-17,30-35H,18-29H2,1-2H3
InChIKeyTURWCWWFHRNIDN-UHFFFAOYSA-N
XLogP12.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.93
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[4-(1-adamantyl)phenyl]-3-N-(9,9-dimethylfluoren-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 155421662
N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181901
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 159219718
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171439101
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 170529514
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 169028316
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]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
CID 169028376
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-4-amine
CID 161114860
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 169028412
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine?
The IUPAC name of N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine (CID 162222684) is N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cccc21.
What is the InChIKey of N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine?
The InChIKey is TURWCWWFHRNIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51N/c1-45(2)41-7-4-3-6-40(41)44-42(45)8-5-9-43(44)48(38-14-10-36(11-15-38)46-24-30-18-31(25-46)20-32(19-30)26-46)39-16-12-37(13-17-39)47-27-33-21-34(28-47)23-35(22-33)29-47/h3-17,30-35H,18-29H2,1-2H3.
What are the key properties of N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine?
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine has a molecular weight of 629.93 g/mol, XLogP of 12.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 162222684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).