N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine

C66H57N — CID 171740767

IUPACN-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine
SMILESCC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H57N/c1-44(2)57-23-14-24-61-64(57)60-36-34-56(40-62(60)66(61,52-18-8-4-9-19-52)53-20-10-5-11-21-53)67(55-32-28-51(29-33-55)65-41-45-37-46(42-65)39-47(38-45)43-65)54-30-25-49(26-31-54)59-35-27-48-15-12-13-22-58(48)63(59)50-16-6-3-7-17-50/h3-36,40,44-47H,37-39,41-43H2,1-2H3
InChIKeyPRWQVIWEILJIQR-UHFFFAOYSA-N
MW864.19 g/mol
LogP17.60
Rot. Bonds9

About N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine

N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine (PubChem CID 171740767) has the molecular formula C66H57N and a molecular weight of 864.19 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine
PubChem CID171740767
Molecular FormulaC66H57N
Molecular Weight864.19 g/mol
Exact Mass863.45
IUPAC NameN-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine
SMILESCC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H57N/c1-44(2)57-23-14-24-61-64(57)60-36-34-56(40-62(60)66(61,52-18-8-4-9-19-52)53-20-10-5-11-21-53)67(55-32-28-51(29-33-55)65-41-45-37-46(42-65)39-47(38-45)43-65)54-30-25-49(26-31-54)59-35-27-48-15-12-13-22-58(48)63(59)50-16-6-3-7-17-50/h3-36,40,44-47H,37-39,41-43H2,1-2H3
InChIKeyPRWQVIWEILJIQR-UHFFFAOYSA-N
XLogP17.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.19
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171741056
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171741136
N-(9,9-dimethyl-5-propan-2-ylfluoren-2-yl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 171741024
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163464467
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine
CID 171741158
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
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-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine (CID 171740767) is N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine is CC(C)c1cccc2c1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine?
The InChIKey is PRWQVIWEILJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H57N/c1-44(2)57-23-14-24-61-64(57)60-36-34-56(40-62(60)66(61,52-18-8-4-9-19-52)53-20-10-5-11-21-53)67(55-32-28-51(29-33-55)65-41-45-37-46(42-65)39-47(38-45)43-65)54-30-25-49(26-31-54)59-35-27-48-15-12-13-22-58(48)63(59)50-16-6-3-7-17-50/h3-36,40,44-47H,37-39,41-43H2,1-2H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine?
N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine has a molecular weight of 864.19 g/mol, XLogP of 17.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine is sourced from PubChem (CID 171740767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).