N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine

C53H33NS2 — CID 177121395

IUPACN-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4sc4c6ccccc6ccc54)cccc32)cc1
InChIInChI=1S/C53H33NS2/c1-3-16-35(17-4-1)53(36-18-5-2-6-19-36)44-24-11-9-22-43(44)50-45(53)25-14-26-46(50)54(37-30-32-40-39-21-10-12-28-48(39)55-49(40)33-37)47-27-13-23-41-42-31-29-34-15-7-8-20-38(34)51(42)56-52(41)47/h1-33H
InChIKeySIRXSPZYRVFKHT-UHFFFAOYSA-N
MW747.99 g/mol
LogP15.41
Rot. Bonds5

About N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine

N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine (PubChem CID 177121395) has the molecular formula C53H33NS2 and a molecular weight of 747.99 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
PubChem CID177121395
Molecular FormulaC53H33NS2
Molecular Weight747.99 g/mol
Exact Mass747.21
IUPAC NameN-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4sc4c6ccccc6ccc54)cccc32)cc1
InChIInChI=1S/C53H33NS2/c1-3-16-35(17-4-1)53(36-18-5-2-6-19-36)44-24-11-9-22-43(44)50-45(53)25-14-26-46(50)54(37-30-32-40-39-21-10-12-28-48(39)55-49(40)33-37)47-27-13-23-41-42-31-29-34-15-7-8-20-38(34)51(42)56-52(41)47/h1-33H
InChIKeySIRXSPZYRVFKHT-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.99
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
N-(2-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325374
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767644
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-4-amine
CID 121423516
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine
CID 167324703
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-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 172544603
N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
CID 163963486
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine (CID 177121395) is N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4sc4c6ccccc6ccc54)cccc32)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine?
The InChIKey is SIRXSPZYRVFKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NS2/c1-3-16-35(17-4-1)53(36-18-5-2-6-19-36)44-24-11-9-22-43(44)50-45(53)25-14-26-46(50)54(37-30-32-40-39-21-10-12-28-48(39)55-49(40)33-37)47-27-13-23-41-42-31-29-34-15-7-8-20-38(34)51(42)56-52(41)47/h1-33H.
What are the key properties of N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine?
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine has a molecular weight of 747.99 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine is sourced from PubChem (CID 177121395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).