N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine

C59H37NS2 — CID 177121684

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1
InChIInChI=1S/C59H37NS2/c1-3-17-40(18-4-1)59(41-19-5-2-6-20-41)50-27-11-9-23-49(50)55-51(59)28-15-29-52(55)60(53-30-14-26-46-45-22-10-12-31-54(45)61-58(46)53)42-35-32-39(33-36-42)44-24-13-25-47-48-37-34-38-16-7-8-21-43(38)57(48)62-56(44)47/h1-37H
InChIKeyCIVTZXKSOJUNAJ-UHFFFAOYSA-N
MW824.09 g/mol
LogP17.08
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine (PubChem CID 177121684) has the molecular formula C59H37NS2 and a molecular weight of 824.09 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
PubChem CID177121684
Molecular FormulaC59H37NS2
Molecular Weight824.09 g/mol
Exact Mass823.24
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1
InChIInChI=1S/C59H37NS2/c1-3-17-40(18-4-1)59(41-19-5-2-6-20-41)50-27-11-9-23-49(50)55-51(59)28-15-29-52(55)60(53-30-14-26-46-45-22-10-12-31-54(45)61-58(46)53)42-35-32-39(33-36-42)44-24-13-25-47-48-37-34-38-16-7-8-21-43(38)57(48)62-56(44)47/h1-37H
InChIKeyCIVTZXKSOJUNAJ-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.09
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121395
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544666
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-4-amine
CID 177121372
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177122214
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-3-amine
CID 177122205
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine (CID 177121684) is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)c4cccc5c4sc4ccccc45)cccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is CIVTZXKSOJUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NS2/c1-3-17-40(18-4-1)59(41-19-5-2-6-20-41)50-27-11-9-23-49(50)55-51(59)28-15-29-52(55)60(53-30-14-26-46-45-22-10-12-31-54(45)61-58(46)53)42-35-32-39(33-36-42)44-24-13-25-47-48-37-34-38-16-7-8-21-43(38)57(48)62-56(44)47/h1-37H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 824.09 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 177121684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).