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

C57H39NOS — CID 177281539

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc4sc5ccccc5c4c3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H39NOS/c1-57(2)48-24-12-8-19-40(48)41-30-28-37(34-49(41)57)58(38-29-31-44-43-21-10-14-26-51(43)59-52(44)35-38)50-25-13-9-20-42(50)46-32-33-54-56(47-23-11-15-27-53(47)60-54)55(46)45-22-7-6-18-39(45)36-16-4-3-5-17-36/h3-35H,1-2H3
InChIKeyZEEPFJCGRRQADJ-UHFFFAOYSA-N
MW786.01 g/mol
LogP16.73
Rot. Bonds6

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

N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine (PubChem CID 177281539) has the molecular formula C57H39NOS and a molecular weight of 786.01 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
PubChem CID177281539
Molecular FormulaC57H39NOS
Molecular Weight786.01 g/mol
Exact Mass785.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc4sc5ccccc5c4c3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H39NOS/c1-57(2)48-24-12-8-19-40(48)41-30-28-37(34-49(41)57)58(38-29-31-44-43-21-10-14-26-51(43)59-52(44)35-38)50-25-13-9-20-42(50)46-32-33-54-56(47-23-11-15-27-53(47)60-54)55(46)45-22-7-6-18-39(45)36-16-4-3-5-17-36/h3-35H,1-2H3
InChIKeyZEEPFJCGRRQADJ-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.01
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177280961
9,9-dimethyl-N-(3-phenylphenyl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]fluoren-2-amine
CID 177280990
N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
CID 176824535
N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281468
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-3-amine
CID 177280948
N-(9,9-dimethylfluoren-2-yl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)dibenzofuran-3-amine
CID 130464815
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050200
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170301437
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine (CID 177281539) is N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc4sc5ccccc5c4c3-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is ZEEPFJCGRRQADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NOS/c1-57(2)48-24-12-8-19-40(48)41-30-28-37(34-49(41)57)58(38-29-31-44-43-21-10-14-26-51(43)59-52(44)35-38)50-25-13-9-20-42(50)46-32-33-54-56(47-23-11-15-27-53(47)60-54)55(46)45-22-7-6-18-39(45)36-16-4-3-5-17-36/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 786.01 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 177281539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).