N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

C163H109N3O3S3 — CID 159258852

IUPACN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)ccc2-c2c1ccc1c2oc2ccccc21.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)cc2)cc1
InChIInChI=1S/C61H39NOS.2C51H35NOS/c1-4-15-40(16-5-1)41-27-31-45(32-28-41)62(46-33-29-42(30-34-46)48-23-14-24-51-49-21-10-12-25-56(49)63-59(48)51)47-35-36-53-55(39-47)61(43-17-6-2-7-18-43,44-19-8-3-9-20-44)54-38-37-52-50-22-11-13-26-57(50)64-60(52)58(53)54;1-51(2)44-30-29-41-39-13-6-8-17-46(39)53-49(41)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-42-40-14-7-9-18-47(40)54-50(38)42;1-51(2)44-30-29-42-40-14-7-9-18-47(40)54-50(42)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41/h1-39H;2*3-31H,1-2H3
InChIKeyKWGBMGANEGESGA-UHFFFAOYSA-N
MW2253.88 g/mol
LogP47.25
Rot. Bonds17

About N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (PubChem CID 159258852) has the molecular formula C163H109N3O3S3 and a molecular weight of 2253.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
PubChem CID159258852
Molecular FormulaC163H109N3O3S3
Molecular Weight2253.88 g/mol
Exact Mass2251.76
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)ccc2-c2c1ccc1c2oc2ccccc21.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)cc2)cc1
InChIInChI=1S/C61H39NOS.2C51H35NOS/c1-4-15-40(16-5-1)41-27-31-45(32-28-41)62(46-33-29-42(30-34-46)48-23-14-24-51-49-21-10-12-25-56(49)63-59(48)51)47-35-36-53-55(39-47)61(43-17-6-2-7-18-43,44-19-8-3-9-20-44)54-38-37-52-50-22-11-13-26-57(50)64-60(52)58(53)54;1-51(2)44-30-29-41-39-13-6-8-17-46(39)53-49(41)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-42-40-14-7-9-18-47(40)54-50(38)42;1-51(2)44-30-29-42-40-14-7-9-18-47(40)54-50(42)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41/h1-39H;2*3-31H,1-2H3
InChIKeyKWGBMGANEGESGA-UHFFFAOYSA-N
XLogP47.25
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002253.88
LogP ≤ 547.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenylaniline
CID 158521504
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;7,7-diphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine
CID 160730060
N,N-bis(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-amine;N-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 158046690
7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 158268750
N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 162178782
N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 160610826
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425117
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine
CID 166503502
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
CID 164985809
N-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine
CID 118405241

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (CID 159258852) is N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)ccc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)ccc2-c2c1ccc1c2oc2ccccc21.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The InChIKey is KWGBMGANEGESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS.2C51H35NOS/c1-4-15-40(16-5-1)41-27-31-45(32-28-41)62(46-33-29-42(30-34-46)48-23-14-24-51-49-21-10-12-25-56(49)63-59(48)51)47-35-36-53-55(39-47)61(43-17-6-2-7-18-43,44-19-8-3-9-20-44)54-38-37-52-50-22-11-13-26-57(50)64-60(52)58(53)54;1-51(2)44-30-29-41-39-13-6-8-17-46(39)53-49(41)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-42-40-14-7-9-18-47(40)54-50(38)42;1-51(2)44-30-29-42-40-14-7-9-18-47(40)54-50(42)48(44)43-28-27-37(31-45(43)51)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41/h1-39H;2*3-31H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine has a molecular weight of 2253.88 g/mol, XLogP of 47.25, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is sourced from PubChem (CID 159258852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).