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

C163H127N3OS2 — CID 158086390

IUPACN-(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
SMILESC.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)cccc21.CC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cccc21.CC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C54H41NO.2C54H41NS.CH4/c1-53(2)46-28-9-6-22-44(46)50-47(53)29-15-30-48(50)55(37-19-12-17-35(33-37)39-24-14-26-43-41-21-7-10-31-49(41)56-52(39)43)36-18-11-16-34(32-36)38-23-13-25-42-40-20-5-8-27-45(40)54(3,4)51(38)42;1-53(2)45-28-10-6-22-43(45)50-46(53)29-16-31-48(50)55(47-30-11-7-20-38(47)41-25-15-26-42-39-21-8-12-32-49(39)56-52(41)42)35-18-13-17-34(33-35)36-23-14-24-40-37-19-5-9-27-44(37)54(3,4)51(36)40;1-53(2)45-24-9-6-18-42(45)51-46(53)25-14-26-47(51)55(36-31-29-34(30-32-36)38-20-13-28-49-50(38)43-19-7-10-27-48(43)56-49)37-16-11-15-35(33-37)39-21-12-22-41-40-17-5-8-23-44(40)54(3,4)52(39)41;/h3*5-33H,1-4H3;1H4
InChIKeyFNOKKYNTWJIXIG-UHFFFAOYSA-N
MW2207.96 g/mol
LogP46.58
Rot. Bonds15

About 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

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 (PubChem CID 158086390) has the molecular formula C163H127N3OS2 and a molecular weight of 2207.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158086390
Molecular FormulaC163H127N3OS2
Molecular Weight2207.96 g/mol
Exact Mass2205.94
IUPAC NameN-(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
SMILESC.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)cccc21.CC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cccc21.CC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C54H41NO.2C54H41NS.CH4/c1-53(2)46-28-9-6-22-44(46)50-47(53)29-15-30-48(50)55(37-19-12-17-35(33-37)39-24-14-26-43-41-21-7-10-31-49(41)56-52(39)43)36-18-11-16-34(32-36)38-23-13-25-42-40-20-5-8-27-45(40)54(3,4)51(38)42;1-53(2)45-28-10-6-22-43(45)50-46(53)29-16-31-48(50)55(47-30-11-7-20-38(47)41-25-15-26-42-39-21-8-12-32-49(39)56-52(41)42)35-18-13-17-34(33-35)36-23-14-24-40-37-19-5-9-27-44(37)54(3,4)51(36)40;1-53(2)45-24-9-6-18-42(45)51-46(53)25-14-26-47(51)55(36-31-29-34(30-32-36)38-20-13-28-49-50(38)43-19-7-10-27-48(43)56-49)37-16-11-15-35(33-37)39-21-12-22-41-40-17-5-8-23-44(40)54(3,4)52(39)41;/h3*5-33H,1-4H3;1H4
InChIKeyFNOKKYNTWJIXIG-UHFFFAOYSA-N
XLogP46.58
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002207.96
LogP ≤ 546.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-(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-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)cccc21.CC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cccc21.CC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4c3sc3ccccc34)cccc21.
What is the InChIKey of 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?
The InChIKey is FNOKKYNTWJIXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO.2C54H41NS.CH4/c1-53(2)46-28-9-6-22-44(46)50-47(53)29-15-30-48(50)55(37-19-12-17-35(33-37)39-24-14-26-43-41-21-7-10-31-49(41)56-52(39)43)36-18-11-16-34(32-36)38-23-13-25-42-40-20-5-8-27-45(40)54(3,4)51(38)42;1-53(2)45-28-10-6-22-43(45)50-46(53)29-16-31-48(50)55(47-30-11-7-20-38(47)41-25-15-26-42-39-21-8-12-32-49(39)56-52(41)42)35-18-13-17-34(33-35)36-23-14-24-40-37-19-5-9-27-44(37)54(3,4)51(36)40;1-53(2)45-24-9-6-18-42(45)51-46(53)25-14-26-47(51)55(36-31-29-34(30-32-36)38-20-13-28-49-50(38)43-19-7-10-27-48(43)56-49)37-16-11-15-35(33-37)39-21-12-22-41-40-17-5-8-23-44(40)54(3,4)52(39)41;/h3*5-33H,1-4H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 2207.96 g/mol, XLogP of 46.58, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158086390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).