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

C64H53N — CID 171741056

IUPACN-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C64H53N/c1-43-14-13-23-59-61(43)58-35-33-55(39-60(58)64(59,51-18-7-3-8-19-51)52-20-9-4-10-21-52)65(54-31-27-50(28-32-54)63-40-44-36-45(41-63)38-46(37-44)42-63)53-29-24-48(25-30-53)57-34-26-47-15-11-12-22-56(47)62(57)49-16-5-2-6-17-49/h2-35,39,44-46H,36-38,40-42H2,1H3
InChIKeyQXWYYOGFFLRSBH-UHFFFAOYSA-N
MW836.14 g/mol
LogP16.78
Rot. Bonds8

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

N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 171741056) has the molecular formula C64H53N and a molecular weight of 836.14 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
PubChem CID171741056
Molecular FormulaC64H53N
Molecular Weight836.14 g/mol
Exact Mass835.42
IUPAC NameN-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C64H53N/c1-43-14-13-23-59-61(43)58-35-33-55(39-60(58)64(59,51-18-7-3-8-19-51)52-20-9-4-10-21-52)65(54-31-27-50(28-32-54)63-40-44-36-45(41-63)38-46(37-44)42-63)53-29-24-48(25-30-53)57-34-26-47-15-11-12-22-56(47)62(57)49-16-5-2-6-17-49/h2-35,39,44-46H,36-38,40-42H2,1H3
InChIKeyQXWYYOGFFLRSBH-UHFFFAOYSA-N
XLogP16.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.14
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(1-adamantyl)phenyl]-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-5-propan-2-ylfluoren-2-amine
CID 171740767
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 177098579
N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine
CID 171740916
5-cyclohexyl-N-naphthalen-2-yl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171741136
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)-5-methyl-9,9-diphenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171740826
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 171740895
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine (CID 171741056) is N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine is Cc1cccc2c1-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]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
The InChIKey is QXWYYOGFFLRSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H53N/c1-43-14-13-23-59-61(43)58-35-33-55(39-60(58)64(59,51-18-7-3-8-19-51)52-20-9-4-10-21-52)65(54-31-27-50(28-32-54)63-40-44-36-45(41-63)38-46(37-44)42-63)53-29-24-48(25-30-53)57-34-26-47-15-11-12-22-56(47)62(57)49-16-5-2-6-17-49/h2-35,39,44-46H,36-38,40-42H2,1H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine?
N-[4-(1-adamantyl)phenyl]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 836.14 g/mol, XLogP of 16.78, 8 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]-5-methyl-9,9-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 171741056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).