7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine

C65H38N2OS — CID 146332998

IUPAC7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3ccc4c5cc6c(cc5n(-c5ccc7sc8ccccc8c7c5)c4c3)oc3ccccc36)cccc21
InChIInChI=1S/C65H38N2OS/c1-2-15-40-34-41(29-28-39(40)14-1)66(57-25-13-24-56-64(57)49-20-5-10-23-55(49)65(56)53-21-8-3-16-44(53)45-17-4-9-22-54(45)65)43-30-32-46-50-37-51-47-18-6-11-26-60(47)68-61(51)38-59(50)67(58(46)36-43)42-31-33-63-52(35-42)48-19-7-12-27-62(48)69-63/h1-38H
InChIKeyWNVPZBMQCQNMIX-UHFFFAOYSA-N
MW895.10 g/mol
LogP18.02
Rot. Bonds4

About 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine

7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine (PubChem CID 146332998) has the molecular formula C65H38N2OS and a molecular weight of 895.10 g/mol. Its IUPAC name is 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine.

Molecular Properties

Compound Name7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine
PubChem CID146332998
Molecular FormulaC65H38N2OS
Molecular Weight895.10 g/mol
Exact Mass894.27
IUPAC Name7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3ccc4c5cc6c(cc5n(-c5ccc7sc8ccccc8c7c5)c4c3)oc3ccccc36)cccc21
InChIInChI=1S/C65H38N2OS/c1-2-15-40-34-41(29-28-39(40)14-1)66(57-25-13-24-56-64(57)49-20-5-10-23-55(49)65(56)53-21-8-3-16-44(53)45-17-4-9-22-54(45)65)43-30-32-46-50-37-51-47-18-6-11-26-60(47)68-61(51)38-59(50)67(58(46)36-43)42-31-33-63-52(35-42)48-19-7-12-27-62(48)69-63/h1-38H
InChIKeyWNVPZBMQCQNMIX-UHFFFAOYSA-N
XLogP18.02
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.10
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine
CID 166849603
N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
CID 165064213
N-dibenzofuran-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164977327
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 157330942
N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
CID 163689901
N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine
CID 171726933
N-(4-ethenylphenyl)-11-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 146332987
13-dibenzofuran-2-yl-21,21-dimethyl-13-azaheptacyclo[14.11.1.02,14.03,12.04,9.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaene;13-dibenzothiophen-2-yl-21,21-dimethyl-13-azaheptacyclo[14.11.1.02,14.03,12.04,9.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaene;4-(21,21-dimethyl-13-azaheptacyclo[14.11.1.02,14.03,12.04,9.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaen-13-yl)-N,N-diphenylaniline
CID 160566099
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
CID 164732018
N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 176583314
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine?
The IUPAC name of 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine (CID 146332998) is 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine.
What is the SMILES notation for 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine?
The canonical SMILES for 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3ccc4c5cc6c(cc5n(-c5ccc7sc8ccccc8c7c5)c4c3)oc3ccccc36)cccc21.
What is the InChIKey of 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine?
The InChIKey is WNVPZBMQCQNMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N2OS/c1-2-15-40-34-41(29-28-39(40)14-1)66(57-25-13-24-56-64(57)49-20-5-10-23-55(49)65(56)53-21-8-3-16-44(53)45-17-4-9-22-54(45)65)43-30-32-46-50-37-51-47-18-6-11-26-60(47)68-61(51)38-59(50)67(58(46)36-43)42-31-33-63-52(35-42)48-19-7-12-27-62(48)69-63/h1-38H.
What are the key properties of 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine?
7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine has a molecular weight of 895.10 g/mol, XLogP of 18.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine is sourced from PubChem (CID 146332998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).