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

C59H51N — CID 169028376

IUPACN-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c21
InChIInChI=1S/C59H51N/c1-58(2)53-22-8-6-17-49(53)52-21-12-24-55(57(52)58)60(54-23-9-7-18-50(54)51-20-11-16-45-15-10-19-48(56(45)51)44-13-4-3-5-14-44)47-31-27-43(28-32-47)42-25-29-46(30-26-42)59-36-39-33-40(37-59)35-41(34-39)38-59/h3-32,39-41H,33-38H2,1-2H3
InChIKeyUTZOBWFUYZHERD-UHFFFAOYSA-N
MW774.06 g/mol
LogP16.08
Rot. Bonds7

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

N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine (PubChem CID 169028376) has the molecular formula C59H51N and a molecular weight of 774.06 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
PubChem CID169028376
Molecular FormulaC59H51N
Molecular Weight774.06 g/mol
Exact Mass773.40
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c21
InChIInChI=1S/C59H51N/c1-58(2)53-22-8-6-17-49(53)52-21-12-24-55(57(52)58)60(54-23-9-7-18-50(54)51-20-11-16-45-15-10-19-48(56(45)51)44-13-4-3-5-14-44)47-31-27-43(28-32-47)42-25-29-46(30-26-42)59-36-39-33-40(37-59)35-41(34-39)38-59/h3-32,39-41H,33-38H2,1-2H3
InChIKeyUTZOBWFUYZHERD-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]-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
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
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]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
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-(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-(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]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 130197529
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
CID 130203835

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine (CID 169028376) is N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)c21.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine?
The InChIKey is UTZOBWFUYZHERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N/c1-58(2)53-22-8-6-17-49(53)52-21-12-24-55(57(52)58)60(54-23-9-7-18-50(54)51-20-11-16-45-15-10-19-48(56(45)51)44-13-4-3-5-14-44)47-31-27-43(28-32-47)42-25-29-46(30-26-42)59-36-39-33-40(37-59)35-41(34-39)38-59/h3-32,39-41H,33-38H2,1-2H3.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine?
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-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-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine is sourced from PubChem (CID 169028376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).