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

C63H49N — CID 170303755

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1
InChIInChI=1S/C63H49N/c1-4-20-45(21-5-1)53-34-17-24-47-25-18-35-55(61(47)53)54-31-13-15-38-59(54)64(50-42-40-46(41-43-50)52-33-16-23-44-22-10-11-30-51(44)52)60-39-19-37-58-62(60)56-32-12-14-36-57(56)63(58,48-26-6-2-7-27-48)49-28-8-3-9-29-49/h2-3,6-19,22-43,45H,1,4-5,20-21H2
InChIKeyDZWWIIVLCAEKTN-UHFFFAOYSA-N
MW820.09 g/mol
LogP17.21
Rot. Bonds8

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 170303755) has the molecular formula C63H49N and a molecular weight of 820.09 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID170303755
Molecular FormulaC63H49N
Molecular Weight820.09 g/mol
Exact Mass819.39
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1
InChIInChI=1S/C63H49N/c1-4-20-45(21-5-1)53-34-17-24-47-25-18-35-55(61(47)53)54-31-13-15-38-59(54)64(50-42-40-46(41-43-50)52-33-16-23-44-22-10-11-30-51(44)52)60-39-19-37-58-62(60)56-32-12-14-36-57(56)63(58,48-26-6-2-7-27-48)49-28-8-3-9-29-49/h2-3,6-19,22-43,45H,1,4-5,20-21H2
InChIKeyDZWWIIVLCAEKTN-UHFFFAOYSA-N
XLogP17.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.09
LogP ≤ 517.21
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-[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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170303868
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170303690
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170303741
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-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304685
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]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 170302761
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 170303755) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is DZWWIIVLCAEKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N/c1-4-20-45(21-5-1)53-34-17-24-47-25-18-35-55(61(47)53)54-31-13-15-38-59(54)64(50-42-40-46(41-43-50)52-33-16-23-44-22-10-11-30-51(44)52)60-39-19-37-58-62(60)56-32-12-14-36-57(56)63(58,48-26-6-2-7-27-48)49-28-8-3-9-29-49/h2-3,6-19,22-43,45H,1,4-5,20-21H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 820.09 g/mol, XLogP of 17.21, 8 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-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 170303755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).