N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine

C63H43NS — CID 171453606

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C63H43NS/c1-62(44-19-5-2-6-20-44)56-29-14-11-26-50(56)52-35-33-48(40-58(52)62)64(47-25-17-18-42(38-47)43-32-37-61-55(39-43)54-28-13-16-31-60(54)65-61)49-34-36-53-51-27-12-15-30-57(51)63(59(53)41-49,45-21-7-3-8-22-45)46-23-9-4-10-24-46/h2-41H,1H3
InChIKeyUWJJZKQQOUWENV-UHFFFAOYSA-N
MW846.11 g/mol
LogP16.89
Rot. Bonds7

About N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine (PubChem CID 171453606) has the molecular formula C63H43NS and a molecular weight of 846.11 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
PubChem CID171453606
Molecular FormulaC63H43NS
Molecular Weight846.11 g/mol
Exact Mass845.31
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C63H43NS/c1-62(44-19-5-2-6-20-44)56-29-14-11-26-50(56)52-35-33-48(40-58(52)62)64(47-25-17-18-42(38-47)43-32-37-61-55(39-43)54-28-13-16-31-60(54)65-61)49-34-36-53-51-27-12-15-30-57(51)63(59(53)41-49,45-21-7-3-8-22-45)46-23-9-4-10-24-46/h2-41H,1H3
InChIKeyUWJJZKQQOUWENV-UHFFFAOYSA-N
XLogP16.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.11
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenylfluoren-2-amine
CID 168766941
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218562
9,9-dimethyl-N-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 163676847
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 122593326
N-(3-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170218536
5-(3-dibenzothiophen-2-ylphenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 134471524
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766908

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine (CID 171453606) is N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine?
The InChIKey is UWJJZKQQOUWENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NS/c1-62(44-19-5-2-6-20-44)56-29-14-11-26-50(56)52-35-33-48(40-58(52)62)64(47-25-17-18-42(38-47)43-32-37-61-55(39-43)54-28-13-16-31-60(54)65-61)49-34-36-53-51-27-12-15-30-57(51)63(59(53)41-49,45-21-7-3-8-22-45)46-23-9-4-10-24-46/h2-41H,1H3.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine has a molecular weight of 846.11 g/mol, XLogP of 16.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine is sourced from PubChem (CID 171453606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).