N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine

C58H36N2S2 — CID 177286557

IUPACN-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccc5c(c4)sc4c6ccccc6ccc54)c4cccc5sc6ccccc6c45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H36N2S2/c1-4-15-37(16-5-1)40-33-48(38-17-6-2-7-18-38)57-50(34-40)49-35-42(29-32-51(49)60(57)41-20-8-3-9-21-41)59(52-24-14-26-54-56(52)47-23-12-13-25-53(47)61-54)43-28-31-45-46-30-27-39-19-10-11-22-44(39)58(46)62-55(45)36-43/h1-36H
InChIKeyOVWMTBWEMHALJC-UHFFFAOYSA-N
MW825.07 g/mol
LogP17.48
Rot. Bonds6

About N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine

N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine (PubChem CID 177286557) has the molecular formula C58H36N2S2 and a molecular weight of 825.07 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine
PubChem CID177286557
Molecular FormulaC58H36N2S2
Molecular Weight825.07 g/mol
Exact Mass824.23
IUPAC NameN-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccc5c(c4)sc4c6ccccc6ccc54)c4cccc5sc6ccccc6c45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H36N2S2/c1-4-15-37(16-5-1)40-33-48(38-17-6-2-7-18-38)57-50(34-40)49-35-42(29-32-51(49)60(57)41-20-8-3-9-21-41)59(52-24-14-26-54-56(52)47-23-12-13-25-53(47)61-54)43-28-31-45-46-30-27-39-19-10-11-22-44(39)58(46)62-55(45)36-43/h1-36H
InChIKeyOVWMTBWEMHALJC-UHFFFAOYSA-N
XLogP17.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine
CID 177286488
N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
CID 166997186
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 164957060
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 177286494
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 164980163
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine
CID 177286550

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine (CID 177286557) is N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(N(c4ccc5c(c4)sc4c6ccccc6ccc54)c4cccc5sc6ccccc6c45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine?
The InChIKey is OVWMTBWEMHALJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S2/c1-4-15-37(16-5-1)40-33-48(38-17-6-2-7-18-38)57-50(34-40)49-35-42(29-32-51(49)60(57)41-20-8-3-9-21-41)59(52-24-14-26-54-56(52)47-23-12-13-25-53(47)61-54)43-28-31-45-46-30-27-39-19-10-11-22-44(39)58(46)62-55(45)36-43/h1-36H.
What are the key properties of N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine?
N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine has a molecular weight of 825.07 g/mol, XLogP of 17.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine is sourced from PubChem (CID 177286557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).