N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine

C69H53NS — CID 177113905

IUPACN-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
SMILESCc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4sc4ccccc45)cc32)c(C)c1
InChIInChI=1S/C69H53NS/c1-42-34-44(3)66(45(4)35-42)69(67-46(5)36-43(2)37-47(67)6)62-19-11-9-16-58(62)59-33-32-57(41-63(59)69)70(64-20-13-18-61-60-17-10-12-21-65(60)71-68(61)64)56-30-28-49(29-31-56)51-24-25-54-40-55(27-26-53(54)39-51)52-23-22-48-14-7-8-15-50(48)38-52/h7-41H,1-6H3
InChIKeyJHKCTRLOAMCLMP-UHFFFAOYSA-N
MW928.26 g/mol
LogP19.38
Rot. Bonds7

About N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine

N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 177113905) has the molecular formula C69H53NS and a molecular weight of 928.26 g/mol. Its IUPAC name is N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
PubChem CID177113905
Molecular FormulaC69H53NS
Molecular Weight928.26 g/mol
Exact Mass927.39
IUPAC NameN-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
SMILESCc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4sc4ccccc45)cc32)c(C)c1
InChIInChI=1S/C69H53NS/c1-42-34-44(3)66(45(4)35-42)69(67-46(5)36-43(2)37-47(67)6)62-19-11-9-16-58(62)59-33-32-57(41-63(59)69)70(64-20-13-18-61-60-17-10-12-21-65(60)71-68(61)64)56-30-28-49(29-31-56)51-24-25-54-40-55(27-26-53(54)39-51)52-23-22-48-14-7-8-15-50(48)38-52/h7-41H,1-6H3
InChIKeyJHKCTRLOAMCLMP-UHFFFAOYSA-N
XLogP19.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.26
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 147331845
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine
CID 168812209
N-(9,9-dimethylfluoren-2-yl)-N-(7,7-dimethyl-9-naphthalen-2-ylbenzo[a]phenalen-1-yl)dibenzothiophen-4-amine
CID 167232236
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 137392661
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
CID 130266206

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine (CID 177113905) is N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine is Cc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4sc4ccccc45)cc32)c(C)c1.
What is the InChIKey of N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is JHKCTRLOAMCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53NS/c1-42-34-44(3)66(45(4)35-42)69(67-46(5)36-43(2)37-47(67)6)62-19-11-9-16-58(62)59-33-32-57(41-63(59)69)70(64-20-13-18-61-60-17-10-12-21-65(60)71-68(61)64)56-30-28-49(29-31-56)51-24-25-54-40-55(27-26-53(54)39-51)52-23-22-48-14-7-8-15-50(48)38-52/h7-41H,1-6H3.
What are the key properties of N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine?
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 928.26 g/mol, XLogP of 19.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 177113905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).