N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine

C60H43NS2 — CID 155095555

IUPACN,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4cccc5c4sc4ccccc45)cc2)c2ccc(-c4cccc5c4sc4ccccc45)cc2)cccc1C3(C)C
InChIInChI=1S/C60H43NS2/c1-59(2)49-21-8-5-14-42(49)47-34-52-48(35-51(47)59)56-50(60(52,3)4)22-13-23-53(56)61(38-30-26-36(27-31-38)40-17-11-19-45-43-15-6-9-24-54(43)62-57(40)45)39-32-28-37(29-33-39)41-18-12-20-46-44-16-7-10-25-55(44)63-58(41)46/h5-35H,1-4H3
InChIKeyQFFHPCXLPFTILW-UHFFFAOYSA-N
MW842.14 g/mol
LogP17.84
Rot. Bonds5

About N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine

N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine (PubChem CID 155095555) has the molecular formula C60H43NS2 and a molecular weight of 842.14 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
PubChem CID155095555
Molecular FormulaC60H43NS2
Molecular Weight842.14 g/mol
Exact Mass841.28
IUPAC NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4cccc5c4sc4ccccc45)cc2)c2ccc(-c4cccc5c4sc4ccccc45)cc2)cccc1C3(C)C
InChIInChI=1S/C60H43NS2/c1-59(2)49-21-8-5-14-42(49)47-34-52-48(35-51(47)59)56-50(60(52,3)4)22-13-23-53(56)61(38-30-26-36(27-31-38)40-17-11-19-45-43-15-6-9-24-54(43)62-57(40)45)39-32-28-37(29-33-39)41-18-12-20-46-44-16-7-10-25-55(44)63-58(41)46/h5-35H,1-4H3
InChIKeyQFFHPCXLPFTILW-UHFFFAOYSA-N
XLogP17.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.14
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine with MolForge

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Related Compounds

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,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
CID 70808691
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)fluoren-2-amine
CID 121391711
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405381
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine?
The IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine (CID 155095555) is N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine?
The canonical SMILES for N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4cccc5c4sc4ccccc45)cc2)c2ccc(-c4cccc5c4sc4ccccc45)cc2)cccc1C3(C)C.
What is the InChIKey of N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine?
The InChIKey is QFFHPCXLPFTILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NS2/c1-59(2)49-21-8-5-14-42(49)47-34-52-48(35-51(47)59)56-50(60(52,3)4)22-13-23-53(56)61(38-30-26-36(27-31-38)40-17-11-19-45-43-15-6-9-24-54(43)62-57(40)45)39-32-28-37(29-33-39)41-18-12-20-46-44-16-7-10-25-55(44)63-58(41)46/h5-35H,1-4H3.
What are the key properties of N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine?
N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine has a molecular weight of 842.14 g/mol, XLogP of 17.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine is sourced from PubChem (CID 155095555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).