2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole

C183H133N11O2S — CID 159726448

IUPAC2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc5ccccc5c5ccccc45)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c(ccc6ccccc65)c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ncoc5c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5o4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5s4)c3c21.Cn1c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)nc2ccccc21
InChIInChI=1S/2C35H25N.C29H23N3.2C28H20N2O.C28H20N2S/c1-35(2)31-13-7-5-11-27(31)29-19-20-30-28-12-6-8-14-32(28)36(34(30)33(29)35)24-17-18-26-23(21-24)16-15-22-9-3-4-10-25(22)26;1-35(2)30-17-9-7-14-25(30)28-19-20-29-27-16-8-10-18-31(27)36(34(29)33(28)35)32-21-22-11-3-4-12-23(22)24-13-5-6-15-26(24)32;1-29(2)22-12-6-4-10-18(22)20-16-17-21-19-11-5-8-14-24(19)32(27(21)26(20)29)28-30-23-13-7-9-15-25(23)31(28)3;1-28(2)21-11-5-3-9-17(21)19-15-16-20-18-10-4-7-13-23(18)30(26(20)25(19)28)27-29-22-12-6-8-14-24(22)31-27;1-28(2)22-9-5-3-7-18(22)20-12-13-21-19-8-4-6-10-24(19)30(27(21)26(20)28)17-11-14-23-25(15-17)31-16-29-23;1-28(2)21-11-5-3-9-17(21)19-15-16-20-18-10-4-7-13-23(18)30(26(20)25(19)28)27-29-22-12-6-8-14-24(22)31-27/h2*3-21H,1-2H3;4-17H,1-3H3;3*3-16H,1-2H3
InChIKeyNARQOIBZMAYZMJ-UHFFFAOYSA-N
MW2550.22 g/mol
LogP47.93
Rot. Bonds6

About 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole

2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole (PubChem CID 159726448) has the molecular formula C183H133N11O2S and a molecular weight of 2550.22 g/mol. Its IUPAC name is 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole
PubChem CID159726448
Molecular FormulaC183H133N11O2S
Molecular Weight2550.22 g/mol
Exact Mass2548.04
IUPAC Name2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc5ccccc5c5ccccc45)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c(ccc6ccccc65)c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ncoc5c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5o4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5s4)c3c21.Cn1c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)nc2ccccc21
InChIInChI=1S/2C35H25N.C29H23N3.2C28H20N2O.C28H20N2S/c1-35(2)31-13-7-5-11-27(31)29-19-20-30-28-12-6-8-14-32(28)36(34(30)33(29)35)24-17-18-26-23(21-24)16-15-22-9-3-4-10-25(22)26;1-35(2)30-17-9-7-14-25(30)28-19-20-29-27-16-8-10-18-31(27)36(34(29)33(28)35)32-21-22-11-3-4-12-23(22)24-13-5-6-15-26(24)32;1-29(2)22-12-6-4-10-18(22)20-16-17-21-19-11-5-8-14-24(19)32(27(21)26(20)29)28-30-23-13-7-9-15-25(23)31(28)3;1-28(2)21-11-5-3-9-17(21)19-15-16-20-18-10-4-7-13-23(18)30(26(20)25(19)28)27-29-22-12-6-8-14-24(22)31-27;1-28(2)22-9-5-3-7-18(22)20-12-13-21-19-8-4-6-10-24(19)30(27(21)26(20)28)17-11-14-23-25(15-17)31-16-29-23;1-28(2)21-11-5-3-9-17(21)19-15-16-20-18-10-4-7-13-23(18)30(26(20)25(19)28)27-29-22-12-6-8-14-24(22)31-27/h2*3-21H,1-2H3;4-17H,1-3H3;3*3-16H,1-2H3
InChIKeyNARQOIBZMAYZMJ-UHFFFAOYSA-N
XLogP47.93
TPSA112.35 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002550.22
LogP ≤ 547.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole with MolForge

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Related Compounds

2-(16,16-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122464525
2-(12,12-dimethyl-15-azahexacyclo[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-undecaen-15-yl)-1,3-benzoxazole
CID 122464499
12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenylindeno[2,1-a]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 157451111
12,12-dimethyl-11-(1-phenylbenzimidazol-5-yl)indeno[2,1-a]carbazole
CID 118502264
7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzofuran-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-benzo[a]carbazol-11-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 162131598
22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122464562
2-(12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)-1,3-benzothiazole
CID 122464537
12-(9,9-dimethylfluoren-2-yl)-18-naphthalen-1-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286550
5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-7-phenyl-1,3-benzoxazole
CID 118502263
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 90324685
2-[3-(9-phenanthren-2-ylcarbazol-4-yl)carbazol-9-yl]-1,3-benzothiazole
CID 163890818
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole?
The IUPAC name of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole (CID 159726448) is 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole.
What is the SMILES notation for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole?
The canonical SMILES for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc5ccccc5c5ccccc45)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c(ccc6ccccc65)c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ncoc5c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5o4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc5ccccc5s4)c3c21.Cn1c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)nc2ccccc21.
What is the InChIKey of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole?
The InChIKey is NARQOIBZMAYZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H25N.C29H23N3.2C28H20N2O.C28H20N2S/c1-35(2)31-13-7-5-11-27(31)29-19-20-30-28-12-6-8-14-32(28)36(34(30)33(29)35)24-17-18-26-23(21-24)16-15-22-9-3-4-10-25(22)26;1-35(2)30-17-9-7-14-25(30)28-19-20-29-27-16-8-10-18-31(27)36(34(29)33(28)35)32-21-22-11-3-4-12-23(22)24-13-5-6-15-26(24)32;1-29(2)22-12-6-4-10-18(22)20-16-17-21-19-11-5-8-14-24(19)32(27(21)26(20)29)28-30-23-13-7-9-15-25(23)31(28)3;1-28(2)21-11-5-3-9-17(21)19-15-16-20-18-10-4-7-13-23(18)30(26(20)25(19)28)27-29-22-12-6-8-14-24(22)31-27;1-28(2)22-9-5-3-7-18(22)20-12-13-21-19-8-4-6-10-24(19)30(27(21)26(20)28)17-11-14-23-25(15-17)31-16-29-23;1-28(2)21-11-5-3-9-17(21)19-15-16-20-18-10-4-7-13-23(18)30(26(20)25(19)28)27-29-22-12-6-8-14-24(22)31-27/h2*3-21H,1-2H3;4-17H,1-3H3;3*3-16H,1-2H3.
What are the key properties of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole?
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole has a molecular weight of 2550.22 g/mol, XLogP of 47.93, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzothiazole;2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3-benzoxazole;12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole is sourced from PubChem (CID 159726448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).