3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole

C90H54Cl3N3OS2 — CID 159391459

IUPAC3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole
SMILESClc1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.Clc1ccc2c(c1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1.Clc1cccc2c1c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C30H18ClNO.2C30H18ClNS/c31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32(28)22-6-2-1-3-7-22)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33-30;31-25-10-6-11-27-30(25)24-18-19(13-15-26(24)32(27)21-7-2-1-3-8-21)20-14-16-29-23(17-20)22-9-4-5-12-28(22)33-29;31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32(28)22-6-2-1-3-7-22)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33-30/h3*1-18H
InChIKeyLMDYXHNJGUUVIM-UHFFFAOYSA-N
MW1363.94 g/mol
LogP27.95
Rot. Bonds6

About 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole

3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole (PubChem CID 159391459) has the molecular formula C90H54Cl3N3OS2 and a molecular weight of 1363.94 g/mol. Its IUPAC name is 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole
PubChem CID159391459
Molecular FormulaC90H54Cl3N3OS2
Molecular Weight1363.94 g/mol
Exact Mass1361.28
IUPAC Name3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole
SMILESClc1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.Clc1ccc2c(c1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1.Clc1cccc2c1c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C30H18ClNO.2C30H18ClNS/c31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32(28)22-6-2-1-3-7-22)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33-30;31-25-10-6-11-27-30(25)24-18-19(13-15-26(24)32(27)21-7-2-1-3-8-21)20-14-16-29-23(17-20)22-9-4-5-12-28(22)33-29;31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32(28)22-6-2-1-3-7-22)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33-30/h3*1-18H
InChIKeyLMDYXHNJGUUVIM-UHFFFAOYSA-N
XLogP27.95
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001363.94
LogP ≤ 527.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
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-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
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-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
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-(8-carbazol-9-yldibenzofuran-2-yl)carbazole;9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]carbazole;9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]carbazole;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 159133190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole?
The IUPAC name of 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) is 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole.
What is the SMILES notation for 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole?
The canonical SMILES for 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole is Clc1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.Clc1ccc2c(c1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1.Clc1cccc2c1c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole?
The InChIKey is LMDYXHNJGUUVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18ClNO.2C30H18ClNS/c31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32(28)22-6-2-1-3-7-22)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33-30;31-25-10-6-11-27-30(25)24-18-19(13-15-26(24)32(27)21-7-2-1-3-8-21)20-14-16-29-23(17-20)22-9-4-5-12-28(22)33-29;31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32(28)22-6-2-1-3-7-22)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33-30/h3*1-18H.
What are the key properties of 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole?
3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole has a molecular weight of 1363.94 g/mol, XLogP of 27.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole is sourced from PubChem (CID 159391459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).