[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane

C54H36N2OS — CID 166588186

IUPAC[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3ccc(S(c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)cc32)cc1
InChIInChI=1S/C54H36N2OS/c1-4-17-37(18-5-1)55-49-28-13-10-25-43(49)45-32-31-42(34-51(45)55)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-19-38(33-41)56-50-29-14-11-26-44(50)47-36-54-48(35-52(47)56)46-27-12-15-30-53(46)57-54/h1-36H
InChIKeyNTOLPNREYUOANL-UHFFFAOYSA-N
MW760.96 g/mol
LogP15.12
Rot. Bonds6

About [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane

[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane (PubChem CID 166588186) has the molecular formula C54H36N2OS and a molecular weight of 760.96 g/mol. Its IUPAC name is [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane.

Molecular Properties

Compound Name[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane
PubChem CID166588186
Molecular FormulaC54H36N2OS
Molecular Weight760.96 g/mol
Exact Mass760.25
IUPAC Name[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3ccc(S(c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)cc32)cc1
InChIInChI=1S/C54H36N2OS/c1-4-17-37(18-5-1)55-49-28-13-10-25-43(49)45-32-31-42(34-51(45)55)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-19-38(33-41)56-50-29-14-11-26-44(50)47-36-54-48(35-52(47)56)46-27-12-15-30-53(46)57-54/h1-36H
InChIKeyNTOLPNREYUOANL-UHFFFAOYSA-N
XLogP15.12
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.96
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane with MolForge

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Related Compounds

11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
diphenyl-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-triphenylen-2-yl-λ4-sulfane
CID 163745728
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
CID 145345114
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
CID 155299501
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
CID 167052172
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931

Frequently Asked Questions

What is the IUPAC name of [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane?
The IUPAC name of [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane (CID 166588186) is [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane.
What is the SMILES notation for [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane?
The canonical SMILES for [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane is c1ccc(-n2c3ccccc3c3ccc(S(c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)cc32)cc1.
What is the InChIKey of [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane?
The InChIKey is NTOLPNREYUOANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS/c1-4-17-37(18-5-1)55-49-28-13-10-25-43(49)45-32-31-42(34-51(45)55)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-19-38(33-41)56-50-29-14-11-26-44(50)47-36-54-48(35-52(47)56)46-27-12-15-30-53(46)57-54/h1-36H.
What are the key properties of [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane?
[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane has a molecular weight of 760.96 g/mol, XLogP of 15.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane is sourced from PubChem (CID 166588186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).