N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine

C63H43NS2 — CID 70808691

IUPACN,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)ccc2-c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C63H43NS2/c1-63(2)57-37-46(35-36-49(57)56-38-54(40-15-5-3-6-16-40)55(39-58(56)63)41-17-7-4-8-18-41)64(44-31-27-42(28-32-44)47-21-13-23-52-50-19-9-11-25-59(50)65-61(47)52)45-33-29-43(30-34-45)48-22-14-24-53-51-20-10-12-26-60(51)66-62(48)53/h3-39H,1-2H3
InChIKeyYSLDHHDFPCYJPO-UHFFFAOYSA-N
MW878.18 g/mol
LogP18.87
Rot. Bonds7

About N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine

N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine (PubChem CID 70808691) has the molecular formula C63H43NS2 and a molecular weight of 878.18 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
PubChem CID70808691
Molecular FormulaC63H43NS2
Molecular Weight878.18 g/mol
Exact Mass877.28
IUPAC NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)ccc2-c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C63H43NS2/c1-63(2)57-37-46(35-36-49(57)56-38-54(40-15-5-3-6-16-40)55(39-58(56)63)41-17-7-4-8-18-41)64(44-31-27-42(28-32-44)47-21-13-23-52-50-19-9-11-25-59(50)65-61(47)52)45-33-29-43(30-34-45)48-22-14-24-53-51-20-10-12-26-60(51)66-62(48)53/h3-39H,1-2H3
InChIKeyYSLDHHDFPCYJPO-UHFFFAOYSA-N
XLogP18.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.18
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
2-N,7-N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;7-dibenzothiophen-4-yl-N-[4-[4-(N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159051141
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
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
3-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N,N-diphenylaniline
CID 118135154
7-dibenzothiophen-4-yl-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 58113350
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
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-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine?
The IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine (CID 70808691) is N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine?
The canonical SMILES for N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)ccc2-c2cc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine?
The InChIKey is YSLDHHDFPCYJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NS2/c1-63(2)57-37-46(35-36-49(57)56-38-54(40-15-5-3-6-16-40)55(39-58(56)63)41-17-7-4-8-18-41)64(44-31-27-42(28-32-44)47-21-13-23-52-50-19-9-11-25-59(50)65-61(47)52)45-33-29-43(30-34-45)48-22-14-24-53-51-20-10-12-26-60(51)66-62(48)53/h3-39H,1-2H3.
What are the key properties of N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine?
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine has a molecular weight of 878.18 g/mol, XLogP of 18.87, 7 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)-9,9-dimethyl-6,7-diphenylfluoren-2-amine is sourced from PubChem (CID 70808691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).