N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine

C58H36N2S2 — CID 170666257

IUPACN-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)c2-c2cccc3sc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C58H36N2S2/c1-3-16-37(17-4-1)41-24-13-27-50(55(41)45-25-14-30-53-56(45)46-34-32-38-18-7-8-21-42(38)58(46)62-53)60(51-28-15-31-54-57(51)44-23-10-12-29-52(44)61-54)40-33-35-49-47(36-40)43-22-9-11-26-48(43)59(49)39-19-5-2-6-20-39/h1-36H
InChIKeyIFEOBRJALWCFCR-UHFFFAOYSA-N
MW825.07 g/mol
LogP17.48
Rot. Bonds6

About N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine

N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 170666257) has the molecular formula C58H36N2S2 and a molecular weight of 825.07 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
PubChem CID170666257
Molecular FormulaC58H36N2S2
Molecular Weight825.07 g/mol
Exact Mass824.23
IUPAC NameN-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)c2-c2cccc3sc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C58H36N2S2/c1-3-16-37(17-4-1)41-24-13-27-50(55(41)45-25-14-30-53-56(45)46-34-32-38-18-7-8-21-42(38)58(46)62-53)60(51-28-15-31-54-57(51)44-23-10-12-29-52(44)61-54)40-33-35-49-47(36-40)43-22-9-11-26-48(43)59(49)39-19-5-2-6-20-39/h1-36H
InChIKeyIFEOBRJALWCFCR-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-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666332
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297
N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997472
N-dibenzothiophen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-6,8,9-triphenylcarbazol-3-amine
CID 177286557
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168790820

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine (CID 170666257) is N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)c2-c2cccc3sc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is IFEOBRJALWCFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S2/c1-3-16-37(17-4-1)41-24-13-27-50(55(41)45-25-14-30-53-56(45)46-34-32-38-18-7-8-21-42(38)58(46)62-53)60(51-28-15-31-54-57(51)44-23-10-12-29-52(44)61-54)40-33-35-49-47(36-40)43-22-9-11-26-48(43)59(49)39-19-5-2-6-20-39/h1-36H.
What are the key properties of N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine?
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-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-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170666257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).