N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine

C78H59N — CID 170303868

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cccc32)cc1
InChIInChI=1S/C78H59N/c1-6-28-54(29-7-1)60-44-24-30-55-31-25-45-63(74(55)60)61-40-18-22-51-71(61)79(73-53-27-50-70-76(73)66-43-17-21-48-68(66)78(70,58-36-12-4-13-37-58)59-38-14-5-15-39-59)72-52-23-19-41-62(72)64-46-26-49-69-75(64)65-42-16-20-47-67(65)77(69,56-32-8-2-9-33-56)57-34-10-3-11-35-57/h2-5,8-27,30-54H,1,6-7,28-29H2
InChIKeyLSBDLUHSAQQULR-UHFFFAOYSA-N
MW1010.34 g/mol
LogP20.42
Rot. Bonds10

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 170303868) has the molecular formula C78H59N and a molecular weight of 1010.34 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
PubChem CID170303868
Molecular FormulaC78H59N
Molecular Weight1010.34 g/mol
Exact Mass1009.46
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cccc32)cc1
InChIInChI=1S/C78H59N/c1-6-28-54(29-7-1)60-44-24-30-55-31-25-45-63(74(55)60)61-40-18-22-51-71(61)79(73-53-27-50-70-76(73)66-43-17-21-48-68(66)78(70,58-36-12-4-13-37-58)59-38-14-5-15-39-59)72-52-23-19-41-62(72)64-46-26-49-69-75(64)65-42-16-20-47-67(65)77(69,56-32-8-2-9-33-56)57-34-10-3-11-35-57/h2-5,8-27,30-54H,1,6-7,28-29H2
InChIKeyLSBDLUHSAQQULR-UHFFFAOYSA-N
XLogP20.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.34
LogP ≤ 520.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170292655
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 170302761
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 170303755
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303870
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304685
N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170303745
2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
CID 170293343
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-4-amine
CID 170303842
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
CID 170292666
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 170303604
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-amine
CID 170303584
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304684

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine (CID 170303868) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cccc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine?
The InChIKey is LSBDLUHSAQQULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H59N/c1-6-28-54(29-7-1)60-44-24-30-55-31-25-45-63(74(55)60)61-40-18-22-51-71(61)79(73-53-27-50-70-76(73)66-43-17-21-48-68(66)78(70,58-36-12-4-13-37-58)59-38-14-5-15-39-59)72-52-23-19-41-62(72)64-46-26-49-69-75(64)65-42-16-20-47-67(65)77(69,56-32-8-2-9-33-56)57-34-10-3-11-35-57/h2-5,8-27,30-54H,1,6-7,28-29H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 1010.34 g/mol, XLogP of 20.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 170303868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).