12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole

C127H92N12 — CID 159013208

IUPAC12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
SMILESCCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1
InChIInChI=1S/C44H34N4.C42H30N4.C41H28N4/c1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29/h5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3
InChIKeyJSTKJRZCERCODH-UHFFFAOYSA-N
MW1786.22 g/mol
LogP32.06
Rot. Bonds14

About 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole

12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole (PubChem CID 159013208) has the molecular formula C127H92N12 and a molecular weight of 1786.22 g/mol. Its IUPAC name is 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
PubChem CID159013208
Molecular FormulaC127H92N12
Molecular Weight1786.22 g/mol
Exact Mass1784.76
IUPAC Name12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
SMILESCCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1
InChIInChI=1S/C44H34N4.C42H30N4.C41H28N4/c1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29/h5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3
InChIKeyJSTKJRZCERCODH-UHFFFAOYSA-N
XLogP32.06
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001786.22
LogP ≤ 532.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 161276109
12-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 157204309
12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 160639693
12-[4,6-bis(4-ethylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118504640
12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 58142375
9-[4,6-bis(4-methylphenyl)pyrimidin-2-yl]-15-phenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193047
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255412
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
12-(4-cyclohepta-1,3,6-trien-1-yl-6-phenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;ethane
CID 143865126
5-phenyl-11-(4-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255419
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole (CID 159013208) is 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole is CCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.
What is the InChIKey of 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The InChIKey is JSTKJRZCERCODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4.C42H30N4.C41H28N4/c1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29/h5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3.
What are the key properties of 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1786.22 g/mol, XLogP of 32.06, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 159013208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).