2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole

C147H108N6OS — CID 158985583

IUPAC2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5oc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5sc3n4-c3ccccc3)ccc21.Cn1c2ccccc2c2c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)ccc3n(-c3ccccc3)c21
InChIInChI=1S/C41H30N2.C36H28N2.C35H25NO.C35H25NS/c1-41(2)35-19-11-9-17-31(35)33-25-27(21-23-36(33)41)28-22-24-38-34(26-28)39-32-18-10-12-20-37(32)42(29-13-5-3-6-14-29)40(39)43(38)30-15-7-4-8-16-30;1-36(2)30-15-9-7-13-26(30)28-21-23(17-19-31(28)36)24-18-20-33-29(22-24)34-27-14-8-10-16-32(27)37(3)35(34)38(33)25-11-5-4-6-12-25;2*1-35(2)29-14-8-6-12-25(29)27-20-22(16-18-30(27)35)23-17-19-31-28(21-23)33-26-13-7-9-15-32(26)37-34(33)36(31)24-10-4-3-5-11-24/h3-26H,1-2H3;4-22H,1-3H3;2*3-21H,1-2H3
InChIKeyJPNLQZSNPGTHNM-UHFFFAOYSA-N
MW2006.59 g/mol
LogP39.42
Rot. Bonds9

About 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole

2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole (PubChem CID 158985583) has the molecular formula C147H108N6OS and a molecular weight of 2006.59 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole
PubChem CID158985583
Molecular FormulaC147H108N6OS
Molecular Weight2006.59 g/mol
Exact Mass2004.83
IUPAC Name2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5oc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5sc3n4-c3ccccc3)ccc21.Cn1c2ccccc2c2c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)ccc3n(-c3ccccc3)c21
InChIInChI=1S/C41H30N2.C36H28N2.C35H25NO.C35H25NS/c1-41(2)35-19-11-9-17-31(35)33-25-27(21-23-36(33)41)28-22-24-38-34(26-28)39-32-18-10-12-20-37(32)42(29-13-5-3-6-14-29)40(39)43(38)30-15-7-4-8-16-30;1-36(2)30-15-9-7-13-26(30)28-21-23(17-19-31(28)36)24-18-20-33-29(22-24)34-27-14-8-10-16-32(27)37(3)35(34)38(33)25-11-5-4-6-12-25;2*1-35(2)29-14-8-6-12-25(29)27-20-22(16-18-30(27)35)23-17-19-31-28(21-23)33-26-13-7-9-15-32(26)37-34(33)36(31)24-10-4-3-5-11-24/h3-26H,1-2H3;4-22H,1-3H3;2*3-21H,1-2H3
InChIKeyJPNLQZSNPGTHNM-UHFFFAOYSA-N
XLogP39.42
TPSA42.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002006.59
LogP ≤ 539.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole with MolForge

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Related Compounds

6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole
CID 159864008
9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 163897494
N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole
CID 159691682
6-phenyl-9-(10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[1]benzothiolo[2,3-b]indole
CID 118227851
5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole
CID 121289685
9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 163914727
8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168876
9-(9-dibenzothiophen-1-yldibenzofuran-2-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole
CID 170285565
11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161290833
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159640666
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 162097761
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline
CID 168839903

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole?
The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole (CID 158985583) is 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole.
What is the SMILES notation for 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole?
The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5oc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3c5ccccc5sc3n4-c3ccccc3)ccc21.Cn1c2ccccc2c2c3cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)ccc3n(-c3ccccc3)c21.
What is the InChIKey of 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole?
The InChIKey is JPNLQZSNPGTHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2.C36H28N2.C35H25NO.C35H25NS/c1-41(2)35-19-11-9-17-31(35)33-25-27(21-23-36(33)41)28-22-24-38-34(26-28)39-32-18-10-12-20-37(32)42(29-13-5-3-6-14-29)40(39)43(38)30-15-7-4-8-16-30;1-36(2)30-15-9-7-13-26(30)28-21-23(17-19-31(28)36)24-18-20-33-29(22-24)34-27-14-8-10-16-32(27)37(3)35(34)38(33)25-11-5-4-6-12-25;2*1-35(2)29-14-8-6-12-25(29)27-20-22(16-18-30(27)35)23-17-19-31-28(21-23)33-26-13-7-9-15-32(26)37-34(33)36(31)24-10-4-3-5-11-24/h3-26H,1-2H3;4-22H,1-3H3;2*3-21H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole?
2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole has a molecular weight of 2006.59 g/mol, XLogP of 39.42, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole is sourced from PubChem (CID 158985583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).