N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine

C69H51NS — CID 168801881

IUPACN-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C69H51NS/c1-68(2,3)49-41-36-46(37-42-49)47-38-43-52(44-39-47)70(61-33-19-32-60-67(61)57-28-14-16-31-59(57)69(60,50-21-6-4-7-22-50)51-23-8-5-9-24-51)62-45-40-48-20-10-11-25-53(48)65(62)55-27-13-12-26-54(55)56-30-18-35-64-66(56)58-29-15-17-34-63(58)71-64/h4-45H,1-3H3
InChIKeyPNFPDUCMRVCXHV-UHFFFAOYSA-N
MW926.24 g/mol
LogP19.34
Rot. Bonds8

About N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine

N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine (PubChem CID 168801881) has the molecular formula C69H51NS and a molecular weight of 926.24 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine
PubChem CID168801881
Molecular FormulaC69H51NS
Molecular Weight926.24 g/mol
Exact Mass925.37
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C69H51NS/c1-68(2,3)49-41-36-46(37-42-49)47-38-43-52(44-39-47)70(61-33-19-32-60-67(61)57-28-14-16-31-59(57)69(60,50-21-6-4-7-22-50)51-23-8-5-9-24-51)62-45-40-48-20-10-11-25-53(48)65(62)55-27-13-12-26-54(55)56-30-18-35-64-66(56)58-29-15-17-34-63(58)71-64/h4-45H,1-3H3
InChIKeyPNFPDUCMRVCXHV-UHFFFAOYSA-N
XLogP19.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.24
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 168802242
N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 172544772
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-9,9-diphenylfluoren-2-amine
CID 168801848
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114184
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122140
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 171730535
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802490

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine (CID 168801881) is N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine is CC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine?
The InChIKey is PNFPDUCMRVCXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51NS/c1-68(2,3)49-41-36-46(37-42-49)47-38-43-52(44-39-47)70(61-33-19-32-60-67(61)57-28-14-16-31-59(57)69(60,50-21-6-4-7-22-50)51-23-8-5-9-24-51)62-45-40-48-20-10-11-25-53(48)65(62)55-27-13-12-26-54(55)56-30-18-35-64-66(56)58-29-15-17-34-63(58)71-64/h4-45H,1-3H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine?
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine has a molecular weight of 926.24 g/mol, XLogP of 19.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 168801881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).