N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine

C62H41NS — CID 121381480

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H41NS/c1-4-18-42(19-5-1)61(55-28-14-10-24-49(55)50-25-11-15-29-56(50)61)45-32-34-46(35-33-45)63(47-37-39-60-54(40-47)53-27-13-17-31-59(53)64-60)48-36-38-52-51-26-12-16-30-57(51)62(58(52)41-48,43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-41H
InChIKeyJIULSPHWFSIYID-UHFFFAOYSA-N
MW832.08 g/mol
LogP16.25
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 121381480) has the molecular formula C62H41NS and a molecular weight of 832.08 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
PubChem CID121381480
Molecular FormulaC62H41NS
Molecular Weight832.08 g/mol
Exact Mass831.30
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H41NS/c1-4-18-42(19-5-1)61(55-28-14-10-24-49(55)50-25-11-15-29-56(50)61)45-32-34-46(35-33-45)63(47-37-39-60-54(40-47)53-27-13-17-31-59(53)64-60)48-36-38-52-51-26-12-16-30-57(51)62(58(52)41-48,43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-41H
InChIKeyJIULSPHWFSIYID-UHFFFAOYSA-N
XLogP16.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.08
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235118
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177287675
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
CID 163580869
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine (CID 121381480) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine is c1ccc(C2(c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5sc6ccccc6c5c4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is JIULSPHWFSIYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NS/c1-4-18-42(19-5-1)61(55-28-14-10-24-49(55)50-25-11-15-29-56(50)61)45-32-34-46(35-33-45)63(47-37-39-60-54(40-47)53-27-13-17-31-59(53)64-60)48-36-38-52-51-26-12-16-30-57(51)62(58(52)41-48,43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 832.08 g/mol, XLogP of 16.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 121381480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).