5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole

C126H90N4OS2 — CID 157306546

IUPAC5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole
SMILESCC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc(-n3c4c(c5ccccc53)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ccc(-c2cccc3c2sc2ccccc23)cc1.CC1(C)c2ccccc2-c2c1n(-c1cccc3c1oc1ccccc13)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C47H32N2O.C44H33NS.C35H25NS/c1-47(2)38-19-9-6-17-35(38)44-37-28-30(29-23-25-40-36(27-29)32-15-7-10-20-39(32)48(40)31-13-4-3-5-14-31)24-26-41(37)49(46(44)47)42-21-12-18-34-33-16-8-11-22-43(33)50-45(34)42;1-43(2)36-24-26(28-15-11-16-32-31-12-7-10-19-39(31)46-42(28)32)20-22-29(36)30-23-21-27(25-37(30)43)45-38-18-9-6-14-34(38)40-41(45)33-13-5-8-17-35(33)44(40,3)4;1-35(2)29-15-6-3-11-27(29)33-32(35)28-12-4-7-16-30(28)36(33)23-20-18-22(19-21-23)24-13-9-14-26-25-10-5-8-17-31(25)37-34(24)26/h3-28H,1-2H3;5-25H,1-4H3;3-21H,1-2H3
InChIKeyBCNRCPSATWWXCK-UHFFFAOYSA-N
MW1740.27 g/mol
LogP34.85
Rot. Bonds7

About 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole

5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole (PubChem CID 157306546) has the molecular formula C126H90N4OS2 and a molecular weight of 1740.27 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole
PubChem CID157306546
Molecular FormulaC126H90N4OS2
Molecular Weight1740.27 g/mol
Exact Mass1738.66
IUPAC Name5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole
SMILESCC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc(-n3c4c(c5ccccc53)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ccc(-c2cccc3c2sc2ccccc23)cc1.CC1(C)c2ccccc2-c2c1n(-c1cccc3c1oc1ccccc13)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C47H32N2O.C44H33NS.C35H25NS/c1-47(2)38-19-9-6-17-35(38)44-37-28-30(29-23-25-40-36(27-29)32-15-7-10-20-39(32)48(40)31-13-4-3-5-14-31)24-26-41(37)49(46(44)47)42-21-12-18-34-33-16-8-11-22-43(33)50-45(34)42;1-43(2)36-24-26(28-15-11-16-32-31-12-7-10-19-39(31)46-42(28)32)20-22-29(36)30-23-21-27(25-37(30)43)45-38-18-9-6-14-34(38)40-41(45)33-13-5-8-17-35(33)44(40,3)4;1-35(2)29-15-6-3-11-27(29)33-32(35)28-12-4-7-16-30(28)36(33)23-20-18-22(19-21-23)24-13-9-14-26-25-10-5-8-17-31(25)37-34(24)26/h3-28H,1-2H3;5-25H,1-4H3;3-21H,1-2H3
InChIKeyBCNRCPSATWWXCK-UHFFFAOYSA-N
XLogP34.85
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001740.27
LogP ≤ 534.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole with MolForge

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Related Compounds

5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole
CID 90191421
21-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9-dimethyl-21-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9-dimethyl-21-phenyl-25-(9-phenylcarbazol-3-yl)-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 159639946
9-(4-dibenzofuran-4-ylphenyl)-3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118099189
5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole
CID 159212687
9-dibenzofuran-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-3-yl)-2-(3-triphenylen-2-ylphenyl)carbazole;9-(9,9-dimethylfluoren-4-yl)-2-(3-triphenylen-2-ylphenyl)carbazole
CID 159433866
9-(3-dibenzofuran-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159453257
3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 159827512
3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole
CID 158048985
5-dibenzofuran-4-yl-10,10-dimethylindeno[1,2-b]indole;5-dibenzofuran-4-yl-12,12-dimethylindeno[1,2-c]carbazole;9-dibenzothiophen-4-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-3-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzothiophen-3-yl-7,7-dimethylindeno[2,1-b]carbazole;5-dibenzothiophen-4-yl-10,10-dimethylindeno[1,2-b]indole;5-dibenzothiophen-4-yl-12,12-dimethylindeno[1,2-c]carbazole;7,7-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 159748150
3,6-di(dibenzofuran-4-yl)-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098976
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene
CID 158307851

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole?
The IUPAC name of 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole (CID 157306546) is 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole.
What is the SMILES notation for 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole?
The canonical SMILES for 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole is CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc(-n3c4c(c5ccccc53)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ccc(-c2cccc3c2sc2ccccc23)cc1.CC1(C)c2ccccc2-c2c1n(-c1cccc3c1oc1ccccc13)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole?
The InChIKey is BCNRCPSATWWXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2O.C44H33NS.C35H25NS/c1-47(2)38-19-9-6-17-35(38)44-37-28-30(29-23-25-40-36(27-29)32-15-7-10-20-39(32)48(40)31-13-4-3-5-14-31)24-26-41(37)49(46(44)47)42-21-12-18-34-33-16-8-11-22-43(33)50-45(34)42;1-43(2)36-24-26(28-15-11-16-32-31-12-7-10-19-39(31)46-42(28)32)20-22-29(36)30-23-21-27(25-37(30)43)45-38-18-9-6-14-34(38)40-41(45)33-13-5-8-17-35(33)44(40,3)4;1-35(2)29-15-6-3-11-27(29)33-32(35)28-12-4-7-16-30(28)36(33)23-20-18-22(19-21-23)24-13-9-14-26-25-10-5-8-17-31(25)37-34(24)26/h3-28H,1-2H3;5-25H,1-4H3;3-21H,1-2H3.
What are the key properties of 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole?
5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole has a molecular weight of 1740.27 g/mol, XLogP of 34.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole;5-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indole;5-(4-dibenzothiophen-4-ylphenyl)-10,10-dimethylindeno[1,2-b]indole is sourced from PubChem (CID 157306546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).