12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole

C108H66N6OS2 — CID 158708574

IUPAC12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)oc5ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c32)cc1
InChIInChI=1S/C36H22N2O.2C36H22N2S/c1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)29-20-21-30-26-13-5-8-16-32(26)38(36(30)35(29)37)24-18-19-28-27-14-6-9-17-33(27)39-34(28)22-24;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-19-20-29-26-13-5-8-16-32(26)38(36(29)35(28)37)24-18-21-34-30(22-24)27-14-6-9-17-33(27)39-34;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)29-20-21-30-26-13-5-8-16-32(26)38(36(30)35(29)37)24-18-19-28-27-14-6-9-17-33(27)39-34(28)22-24/h3*1-22H
InChIKeyIIKVVPZIQAXIBB-UHFFFAOYSA-N
MW1527.89 g/mol
LogP30.28
Rot. Bonds6

About 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole

12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole (PubChem CID 158708574) has the molecular formula C108H66N6OS2 and a molecular weight of 1527.89 g/mol. Its IUPAC name is 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
PubChem CID158708574
Molecular FormulaC108H66N6OS2
Molecular Weight1527.89 g/mol
Exact Mass1526.47
IUPAC Name12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)oc5ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c32)cc1
InChIInChI=1S/C36H22N2O.2C36H22N2S/c1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)29-20-21-30-26-13-5-8-16-32(26)38(36(30)35(29)37)24-18-19-28-27-14-6-9-17-33(27)39-34(28)22-24;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-19-20-29-26-13-5-8-16-32(26)38(36(29)35(28)37)24-18-21-34-30(22-24)27-14-6-9-17-33(27)39-34;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)29-20-21-30-26-13-5-8-16-32(26)38(36(30)35(29)37)24-18-19-28-27-14-6-9-17-33(27)39-34(28)22-24/h3*1-22H
InChIKeyIIKVVPZIQAXIBB-UHFFFAOYSA-N
XLogP30.28
TPSA42.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001527.89
LogP ≤ 530.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole with MolForge

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Related Compounds

12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 170286797
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
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
12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 157088557
3-[9-(10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497124
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
bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
CID 167619791
12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole
CID 164963553
3-dibenzofuran-3-yl-25-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene;3-(4-phenylphenyl)-25-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene;3-phenyl-25-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 160599640
5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
CID 170393793
6-dibenzothiophen-2-yl-11-phenyl-21-oxa-6,11-diazahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1,3,5(20),7(19),8,10(18),12(17),13,15-nonaene
CID 135130545

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole (CID 158708574) is 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)oc5ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c32)cc1.
What is the InChIKey of 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole?
The InChIKey is IIKVVPZIQAXIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O.2C36H22N2S/c1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)29-20-21-30-26-13-5-8-16-32(26)38(36(30)35(29)37)24-18-19-28-27-14-6-9-17-33(27)39-34(28)22-24;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-19-20-29-26-13-5-8-16-32(26)38(36(29)35(28)37)24-18-21-34-30(22-24)27-14-6-9-17-33(27)39-34;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)29-20-21-30-26-13-5-8-16-32(26)38(36(30)35(29)37)24-18-19-28-27-14-6-9-17-33(27)39-34(28)22-24/h3*1-22H.
What are the key properties of 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole?
12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1527.89 g/mol, XLogP of 30.28, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 158708574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).