N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine

C57H39NS2 — CID 135277566

IUPACN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(sc6ccccc65)c4-c4ccccc4)cc3)cc21
InChIInChI=1S/C57H39NS2/c1-57(2)50-17-9-6-14-44(50)45-30-29-42(35-51(45)57)58(40-25-20-36(21-26-40)39-24-33-54-49(34-39)47-16-8-10-18-52(47)59-54)41-27-22-37(23-28-41)43-31-32-48-46-15-7-11-19-53(46)60-56(48)55(43)38-12-4-3-5-13-38/h3-35H,1-2H3
InChIKeyIKOYOLVXHWYXOT-UHFFFAOYSA-N
MW802.08 g/mol
LogP17.20
Rot. Bonds6

About N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine

N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine (PubChem CID 135277566) has the molecular formula C57H39NS2 and a molecular weight of 802.08 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
PubChem CID135277566
Molecular FormulaC57H39NS2
Molecular Weight802.08 g/mol
Exact Mass801.25
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(sc6ccccc65)c4-c4ccccc4)cc3)cc21
InChIInChI=1S/C57H39NS2/c1-57(2)50-17-9-6-14-44(50)45-30-29-42(35-51(45)57)58(40-25-20-36(21-26-40)39-24-33-54-49(34-39)47-16-8-10-18-52(47)59-54)41-27-22-37(23-28-41)43-31-32-48-46-15-7-11-19-53(46)60-56(48)55(43)38-12-4-3-5-13-38/h3-35H,1-2H3
InChIKeyIKOYOLVXHWYXOT-UHFFFAOYSA-N
XLogP17.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.08
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-triphenylen-2-yldibenzothiophen-3-amine;N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine;4-phenyl-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-3-amine
CID 160539416
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine
CID 169280592
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-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine
CID 118405241
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463220

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine (CID 135277566) is N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(sc6ccccc65)c4-c4ccccc4)cc3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine?
The InChIKey is IKOYOLVXHWYXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NS2/c1-57(2)50-17-9-6-14-44(50)45-30-29-42(35-51(45)57)58(40-25-20-36(21-26-40)39-24-33-54-49(34-39)47-16-8-10-18-52(47)59-54)41-27-22-37(23-28-41)43-31-32-48-46-15-7-11-19-53(46)60-56(48)55(43)38-12-4-3-5-13-38/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine?
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine has a molecular weight of 802.08 g/mol, XLogP of 17.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 135277566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).