N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

C59H51N — CID 169028677

IUPACN-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3)cc21
InChIInChI=1S/C59H51N/c1-58(2)55-20-7-6-17-53(55)54-30-29-50(35-56(54)58)60(48-27-23-44(24-28-48)52-19-10-14-45-13-9-18-51(57(45)52)43-11-4-3-5-12-43)49-16-8-15-46(34-49)42-21-25-47(26-22-42)59-36-39-31-40(37-59)33-41(32-39)38-59/h3-30,34-35,39-41H,31-33,36-38H2,1-2H3
InChIKeyIKJUCPWGSNCFTI-UHFFFAOYSA-N
MW774.06 g/mol
LogP16.08
Rot. Bonds7

About N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 169028677) has the molecular formula C59H51N and a molecular weight of 774.06 g/mol. Its IUPAC name is N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID169028677
Molecular FormulaC59H51N
Molecular Weight774.06 g/mol
Exact Mass773.40
IUPAC NameN-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3)cc21
InChIInChI=1S/C59H51N/c1-58(2)55-20-7-6-17-53(55)54-30-29-50(35-56(54)58)60(48-27-23-44(24-28-48)52-19-10-14-45-13-9-18-51(57(45)52)43-11-4-3-5-12-43)49-16-8-15-46(34-49)42-21-25-47(26-22-42)59-36-39-31-40(37-59)33-41(32-39)38-59/h3-30,34-35,39-41H,31-33,36-38H2,1-2H3
InChIKeyIKJUCPWGSNCFTI-UHFFFAOYSA-N
XLogP16.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.06
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
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-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
7'-(1-adamantyl)-N-(9,9-dimethylfluoren-3-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 169028750
N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170115491
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]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057
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]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
CID 169028376

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (CID 169028677) is N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3)cc21.
What is the InChIKey of N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is IKJUCPWGSNCFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N/c1-58(2)55-20-7-6-17-53(55)54-30-29-50(35-56(54)58)60(48-27-23-44(24-28-48)52-19-10-14-45-13-9-18-51(57(45)52)43-11-4-3-5-12-43)49-16-8-15-46(34-49)42-21-25-47(26-22-42)59-36-39-31-40(37-59)33-41(32-39)38-59/h3-30,34-35,39-41H,31-33,36-38H2,1-2H3.
What are the key properties of N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 774.06 g/mol, XLogP of 16.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 169028677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).