N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine

C63H39NS — CID 177114131

IUPACN-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c(-c6cccc7ccccc67)cccc45)cc3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C63H39NS/c1-2-16-45-40(14-1)15-11-22-47(45)50-25-13-23-48-46(21-12-24-49(48)50)41-30-32-42(33-31-41)64(43-35-37-62-56(38-43)55-20-6-10-29-61(55)65-62)44-34-36-54-53-19-5-9-28-59(53)63(60(54)39-44)57-26-7-3-17-51(57)52-18-4-8-27-58(52)63/h1-39H
InChIKeyPCJCWOFSZIGQGW-UHFFFAOYSA-N
MW842.08 g/mol
LogP17.51
Rot. Bonds5

About N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine

N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (PubChem CID 177114131) has the molecular formula C63H39NS and a molecular weight of 842.08 g/mol. Its IUPAC name is N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
PubChem CID177114131
Molecular FormulaC63H39NS
Molecular Weight842.08 g/mol
Exact Mass841.28
IUPAC NameN-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c(-c6cccc7ccccc67)cccc45)cc3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C63H39NS/c1-2-16-45-40(14-1)15-11-22-47(45)50-25-13-23-48-46(21-12-24-49(48)50)41-30-32-42(33-31-41)64(43-35-37-62-56(38-43)55-20-6-10-29-61(55)65-62)44-34-36-54-53-19-5-9-28-59(53)63(60(54)39-44)57-26-7-3-17-51(57)52-18-4-8-27-58(52)63/h1-39H
InChIKeyPCJCWOFSZIGQGW-UHFFFAOYSA-N
XLogP17.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.08
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114073
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 147331845
N-phenanthren-2-yl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-2-amine
CID 130250436
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168767516
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766908
2-N-(4-naphthalen-1-ylphenyl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529809
N-(4-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308708
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766671

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The IUPAC name of N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine (CID 177114131) is N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The canonical SMILES for N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c(-c6cccc7ccccc67)cccc45)cc3)c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
The InChIKey is PCJCWOFSZIGQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NS/c1-2-16-45-40(14-1)15-11-22-47(45)50-25-13-23-48-46(21-12-24-49(48)50)41-30-32-42(33-31-41)64(43-35-37-62-56(38-43)55-20-6-10-29-61(55)65-62)44-34-36-54-53-19-5-9-28-59(53)63(60(54)39-44)57-26-7-3-17-51(57)52-18-4-8-27-58(52)63/h1-39H.
What are the key properties of N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine?
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine has a molecular weight of 842.08 g/mol, XLogP of 17.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 177114131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).