N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine

C59H37NS — CID 168812209

IUPACN-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C59H37NS/c1-3-15-38(16-4-1)39-29-32-42(33-30-39)60(54-27-14-24-50-48-22-9-12-28-55(48)61-58(50)54)43-34-36-47-45-20-7-10-25-51(45)59(53(47)37-43)52-26-11-8-21-46(52)49-23-13-19-41-31-35-44(57(59)56(41)49)40-17-5-2-6-18-40/h1-37H
InChIKeyJCXMBQQBMYVSIE-UHFFFAOYSA-N
MW792.02 g/mol
LogP16.35
Rot. Bonds5

About N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine

N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine (PubChem CID 168812209) has the molecular formula C59H37NS and a molecular weight of 792.02 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine
PubChem CID168812209
Molecular FormulaC59H37NS
Molecular Weight792.02 g/mol
Exact Mass791.26
IUPAC NameN-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C59H37NS/c1-3-15-38(16-4-1)39-29-32-42(33-30-39)60(54-27-14-24-50-48-22-9-12-28-55(48)61-58(50)54)43-34-36-47-45-20-7-10-25-51(45)59(53(47)37-43)52-26-11-8-21-46(52)49-23-13-19-41-31-35-44(57(59)56(41)49)40-17-5-2-6-18-40/h1-37H
InChIKeyJCXMBQQBMYVSIE-UHFFFAOYSA-N
XLogP16.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.02
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 147331845
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095
N-[4-phenyl-3-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 168788810
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
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
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine (CID 168812209) is N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine?
The InChIKey is JCXMBQQBMYVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NS/c1-3-15-38(16-4-1)39-29-32-42(33-30-39)60(54-27-14-24-50-48-22-9-12-28-55(48)61-58(50)54)43-34-36-47-45-20-7-10-25-51(45)59(53(47)37-43)52-26-11-8-21-46(52)49-23-13-19-41-31-35-44(57(59)56(41)49)40-17-5-2-6-18-40/h1-37H.
What are the key properties of N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine?
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine has a molecular weight of 792.02 g/mol, XLogP of 16.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 168812209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).