3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole

C114H66Cl4N2OS5 — CID 160880322

IUPAC3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESClc1ccc(-c2ccc3c(c2)sc2ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)cc1.Clc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)oc3ccccc34)cc12.Clc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)sc3ccccc34)cc12.Clc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C36H22ClNS.C30H18ClNS.C24H13ClOS.C24H13ClS2/c37-27-15-10-23(11-16-27)26-13-18-31-32-20-24(14-19-35(32)39-36(31)22-26)25-12-17-30-29-8-4-5-9-33(29)38(34(30)21-25)28-6-2-1-3-7-28;31-21-12-14-25-26-16-19(11-15-29(26)33-30(25)18-21)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;25-16-7-9-19-20-11-14(6-10-23(20)27-24(19)13-16)15-5-8-18-17-3-1-2-4-21(17)26-22(18)12-15;25-16-7-9-19-20-11-14(6-10-22(20)27-24(19)13-16)15-5-8-18-17-3-1-2-4-21(17)26-23(18)12-15/h1-22H;1-18H;2*1-13H
InChIKeySMYGCOBNDGXIKD-UHFFFAOYSA-N
MW1781.94 g/mol
LogP37.63
Rot. Bonds7

About 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole

3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 160880322) has the molecular formula C114H66Cl4N2OS5 and a molecular weight of 1781.94 g/mol. Its IUPAC name is 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID160880322
Molecular FormulaC114H66Cl4N2OS5
Molecular Weight1781.94 g/mol
Exact Mass1778.25
IUPAC Name3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESClc1ccc(-c2ccc3c(c2)sc2ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)cc1.Clc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)oc3ccccc34)cc12.Clc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)sc3ccccc34)cc12.Clc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C36H22ClNS.C30H18ClNS.C24H13ClOS.C24H13ClS2/c37-27-15-10-23(11-16-27)26-13-18-31-32-20-24(14-19-35(32)39-36(31)22-26)25-12-17-30-29-8-4-5-9-33(29)38(34(30)21-25)28-6-2-1-3-7-28;31-21-12-14-25-26-16-19(11-15-29(26)33-30(25)18-21)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;25-16-7-9-19-20-11-14(6-10-23(20)27-24(19)13-16)15-5-8-18-17-3-1-2-4-21(17)26-22(18)12-15;25-16-7-9-19-20-11-14(6-10-22(20)27-24(19)13-16)15-5-8-18-17-3-1-2-4-21(17)26-23(18)12-15/h1-22H;1-18H;2*1-13H
InChIKeySMYGCOBNDGXIKD-UHFFFAOYSA-N
XLogP37.63
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001781.94
LogP ≤ 537.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole with MolForge

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Related Compounds

9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165082275
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223424
3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole
CID 159391459

Frequently Asked Questions

What is the IUPAC name of 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole (CID 160880322) is 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole is Clc1ccc(-c2ccc3c(c2)sc2ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)cc1.Clc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)oc3ccccc34)cc12.Clc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)sc3ccccc34)cc12.Clc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc12.
What is the InChIKey of 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is SMYGCOBNDGXIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22ClNS.C30H18ClNS.C24H13ClOS.C24H13ClS2/c37-27-15-10-23(11-16-27)26-13-18-31-32-20-24(14-19-35(32)39-36(31)22-26)25-12-17-30-29-8-4-5-9-33(29)38(34(30)21-25)28-6-2-1-3-7-28;31-21-12-14-25-26-16-19(11-15-29(26)33-30(25)18-21)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;25-16-7-9-19-20-11-14(6-10-23(20)27-24(19)13-16)15-5-8-18-17-3-1-2-4-21(17)26-22(18)12-15;25-16-7-9-19-20-11-14(6-10-22(20)27-24(19)13-16)15-5-8-18-17-3-1-2-4-21(17)26-23(18)12-15/h1-22H;1-18H;2*1-13H.
What are the key properties of 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole?
3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 1781.94 g/mol, XLogP of 37.63, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 160880322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).