N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine

C156H111N3S3 — CID 159294805

IUPACN-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5sc5ccccc56)c4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)cc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc32)c2ccccc21
InChIInChI=1S/C58H41NS.C52H37NS.C46H33NS/c1-57(2)48-26-9-11-28-50(48)58(51-29-12-10-27-49(51)57)47-25-8-6-22-46(47)55-43(23-15-30-52(55)58)40-19-14-20-42(37-40)59(41-35-33-39(34-36-41)38-17-4-3-5-18-38)53-31-16-24-45-44-21-7-13-32-54(44)60-56(45)53;1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)43-18-8-6-16-39(43)40-30-28-37(32-48(40)52)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-42-41-17-7-13-23-49(41)54-50(42)33-38;1-45(2)38-19-9-11-21-40(38)46(41-22-12-10-20-39(41)45)37-18-8-6-16-33(37)34-26-24-31(28-42(34)46)47(30-14-4-3-5-15-30)32-25-27-36-35-17-7-13-23-43(35)48-44(36)29-32/h3-37H,1-2H3;3-33H,1-2H3;3-29H,1-2H3
InChIKeyLAOPXHJTFZEJDV-UHFFFAOYSA-N
MW2123.83 g/mol
LogP42.58
Rot. Bonds12

About N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 159294805) has the molecular formula C156H111N3S3 and a molecular weight of 2123.83 g/mol. Its IUPAC name is N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID159294805
Molecular FormulaC156H111N3S3
Molecular Weight2123.83 g/mol
Exact Mass2121.79
IUPAC NameN-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5sc5ccccc56)c4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)cc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc32)c2ccccc21
InChIInChI=1S/C58H41NS.C52H37NS.C46H33NS/c1-57(2)48-26-9-11-28-50(48)58(51-29-12-10-27-49(51)57)47-25-8-6-22-46(47)55-43(23-15-30-52(55)58)40-19-14-20-42(37-40)59(41-35-33-39(34-36-41)38-17-4-3-5-18-38)53-31-16-24-45-44-21-7-13-32-54(44)60-56(45)53;1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)43-18-8-6-16-39(43)40-30-28-37(32-48(40)52)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-42-41-17-7-13-23-49(41)54-50(42)33-38;1-45(2)38-19-9-11-21-40(38)46(41-22-12-10-20-39(41)45)37-18-8-6-16-33(37)34-26-24-31(28-42(34)46)47(30-14-4-3-5-15-30)32-25-27-36-35-17-7-13-23-43(35)48-44(36)29-32/h3-37H,1-2H3;3-33H,1-2H3;3-29H,1-2H3
InChIKeyLAOPXHJTFZEJDV-UHFFFAOYSA-N
XLogP42.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002123.83
LogP ≤ 542.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
N-(9,9-dimethylfluoren-2-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-4-amine
CID 138568677
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158728666
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 137448805
N-[4-[9,9-bis(4-dibenzothiophen-4-ylphenyl)fluoren-4-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164769029
N,N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462449
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463220
4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170
N-(4-dibenzothiophen-3-ylphenyl)-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-N-phenylaniline
CID 167177532

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 159294805) is N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5sc5ccccc56)c4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)cc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc32)c2ccccc21.
What is the InChIKey of N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is LAOPXHJTFZEJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NS.C52H37NS.C46H33NS/c1-57(2)48-26-9-11-28-50(48)58(51-29-12-10-27-49(51)57)47-25-8-6-22-46(47)55-43(23-15-30-52(55)58)40-19-14-20-42(37-40)59(41-35-33-39(34-36-41)38-17-4-3-5-18-38)53-31-16-24-45-44-21-7-13-32-54(44)60-56(45)53;1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)43-18-8-6-16-39(43)40-30-28-37(32-48(40)52)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-42-41-17-7-13-23-49(41)54-50(42)33-38;1-45(2)38-19-9-11-21-40(38)46(41-22-12-10-20-39(41)45)37-18-8-6-16-33(37)34-26-24-31(28-42(34)46)47(30-14-4-3-5-15-30)32-25-27-36-35-17-7-13-23-43(35)48-44(36)29-32/h3-37H,1-2H3;3-33H,1-2H3;3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine?
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 2123.83 g/mol, XLogP of 42.58, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 159294805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).