N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine

C216H164N4OS3 — CID 162208144

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5sc6ccccc6c45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3sc3ccccc34)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C54H41NO.3C54H41NS/c1-53(2)43-26-9-5-21-41(43)50-39(24-15-28-45(50)53)37-19-7-11-30-47(37)55(48-31-16-29-46-51(48)42-22-6-10-27-44(42)54(46,3)4)35-18-13-17-34(33-35)36-23-14-25-40-38-20-8-12-32-49(38)56-52(36)40;1-53(2)42-26-10-5-21-40(42)50-37(23-16-28-44(50)53)34-18-7-12-30-46(34)55(48-32-17-29-45-51(48)41-22-6-11-27-43(41)54(45,3)4)47-31-13-8-19-35(47)38-24-15-25-39-36-20-9-14-33-49(36)56-52(38)39;1-53(2)42-25-9-5-20-39(42)50-38(24-14-27-44(50)53)37-19-7-11-29-46(37)55(47-30-16-28-45-52(47)40-21-6-10-26-43(40)54(45,3)4)35-18-13-17-34(33-35)36-23-15-32-49-51(36)41-22-8-12-31-48(41)56-49;1-53(2)42-22-9-5-17-39(42)50-38(21-13-24-44(50)53)37-16-7-11-26-46(37)55(47-27-15-25-45-52(47)40-18-6-10-23-43(40)54(45,3)4)35-32-30-34(31-33-35)36-20-14-29-49-51(36)41-19-8-12-28-48(41)56-49/h4*5-33H,1-4H3
InChIKeyZSMCBXFVCLWDBN-UHFFFAOYSA-N
MW2927.92 g/mol
LogP61.42
Rot. Bonds20

About N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine (PubChem CID 162208144) has the molecular formula C216H164N4OS3 and a molecular weight of 2927.92 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
PubChem CID162208144
Molecular FormulaC216H164N4OS3
Molecular Weight2927.92 g/mol
Exact Mass2925.21
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5sc6ccccc6c45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3sc3ccccc34)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C54H41NO.3C54H41NS/c1-53(2)43-26-9-5-21-41(43)50-39(24-15-28-45(50)53)37-19-7-11-30-47(37)55(48-31-16-29-46-51(48)42-22-6-10-27-44(42)54(46,3)4)35-18-13-17-34(33-35)36-23-14-25-40-38-20-8-12-32-49(38)56-52(36)40;1-53(2)42-26-10-5-21-40(42)50-37(23-16-28-44(50)53)34-18-7-12-30-46(34)55(48-32-17-29-45-51(48)41-22-6-11-27-43(41)54(45,3)4)47-31-13-8-19-35(47)38-24-15-25-39-36-20-9-14-33-49(36)56-52(38)39;1-53(2)42-25-9-5-20-39(42)50-38(24-14-27-44(50)53)37-19-7-11-29-46(37)55(47-30-16-28-45-52(47)40-21-6-10-26-43(40)54(45,3)4)35-18-13-17-34(33-35)36-23-15-32-49-51(36)41-22-8-12-31-48(41)56-49;1-53(2)42-22-9-5-17-39(42)50-38(21-13-24-44(50)53)37-16-7-11-26-46(37)55(47-27-15-25-45-52(47)40-18-6-10-23-43(40)54(45,3)4)35-32-30-34(31-33-35)36-20-14-29-49-51(36)41-19-8-12-28-48(41)56-49/h4*5-33H,1-4H3
InChIKeyZSMCBXFVCLWDBN-UHFFFAOYSA-N
XLogP61.42
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002927.92
LogP ≤ 561.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine with MolForge

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-4-amine;methane
CID 158086390
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 159643698
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine
CID 166503502
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424253
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 161432391

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine (CID 162208144) is N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5sc6ccccc6c45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3cccc4c3sc3ccccc34)c3cccc4c3-c3ccccc3C4(C)C)cccc21.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine?
The InChIKey is ZSMCBXFVCLWDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO.3C54H41NS/c1-53(2)43-26-9-5-21-41(43)50-39(24-15-28-45(50)53)37-19-7-11-30-47(37)55(48-31-16-29-46-51(48)42-22-6-10-27-44(42)54(46,3)4)35-18-13-17-34(33-35)36-23-14-25-40-38-20-8-12-32-49(38)56-52(36)40;1-53(2)42-26-10-5-21-40(42)50-37(23-16-28-44(50)53)34-18-7-12-30-46(34)55(48-32-17-29-45-51(48)41-22-6-11-27-43(41)54(45,3)4)47-31-13-8-19-35(47)38-24-15-25-39-36-20-9-14-33-49(36)56-52(38)39;1-53(2)42-25-9-5-20-39(42)50-38(24-14-27-44(50)53)37-19-7-11-29-46(37)55(47-30-16-28-45-52(47)40-21-6-10-26-43(40)54(45,3)4)35-18-13-17-34(33-35)36-23-15-32-49-51(36)41-22-8-12-31-48(41)56-49;1-53(2)42-22-9-5-17-39(42)50-38(21-13-24-44(50)53)37-16-7-11-26-46(37)55(47-27-15-25-45-52(47)40-18-6-10-23-43(40)54(45,3)4)35-32-30-34(31-33-35)36-20-14-29-49-51(36)41-19-8-12-28-48(41)56-49/h4*5-33H,1-4H3.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine has a molecular weight of 2927.92 g/mol, XLogP of 61.42, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 162208144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).