5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole

C138H87N17O2 — CID 157138343

IUPAC5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C39H25N5.C34H21N3O.C33H20N4O.C32H21N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-3-11-22(12-4-1)27-21-28(23-13-5-2-6-14-23)36-34(35-27)37-29-17-9-7-16-26(29)32-30(37)20-19-25-24-15-8-10-18-31(24)38-33(25)32;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)38-30(26)29(25)37;1-3-13-30-24(9-1)25-10-2-4-14-31(25)37(30)23-17-15-22(16-18-23)28-21-29(26-11-5-7-19-33-26)36-32(35-28)27-12-6-8-20-34-27/h1-25H;1-21H;1-20H;1-21H
InChIKeyAJWVQSDPWBTDPJ-UHFFFAOYSA-N
MW2015.33 g/mol
LogP33.77
Rot. Bonds14

About 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole

5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 157138343) has the molecular formula C138H87N17O2 and a molecular weight of 2015.33 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole
PubChem CID157138343
Molecular FormulaC138H87N17O2
Molecular Weight2015.33 g/mol
Exact Mass2013.72
IUPAC Name5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C39H25N5.C34H21N3O.C33H20N4O.C32H21N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-3-11-22(12-4-1)27-21-28(23-13-5-2-6-14-23)36-34(35-27)37-29-17-9-7-16-26(29)32-30(37)20-19-25-24-15-8-10-18-31(24)38-33(25)32;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)38-30(26)29(25)37;1-3-13-30-24(9-1)25-10-2-4-14-31(25)37(30)23-17-15-22(16-18-23)28-21-29(26-11-5-7-19-33-26)36-32(35-28)27-12-6-8-20-34-27/h1-25H;1-21H;1-20H;1-21H
InChIKeyAJWVQSDPWBTDPJ-UHFFFAOYSA-N
XLogP33.77
TPSA205.61 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002015.33
LogP ≤ 533.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole with MolForge

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Related Compounds

2-[5-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155539281
4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 157387208
2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157432745
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157838223
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-methylphenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 158224237
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;3-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 158351719
7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine
CID 158792646

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole (CID 157138343) is 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)cc1.
What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is AJWVQSDPWBTDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5.C34H21N3O.C33H20N4O.C32H21N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-3-11-22(12-4-1)27-21-28(23-13-5-2-6-14-23)36-34(35-27)37-29-17-9-7-16-26(29)32-30(37)20-19-25-24-15-8-10-18-31(24)38-33(25)32;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)38-30(26)29(25)37;1-3-13-30-24(9-1)25-10-2-4-14-31(25)37(30)23-17-15-22(16-18-23)28-21-29(26-11-5-7-19-33-26)36-32(35-28)27-12-6-8-20-34-27/h1-25H;1-21H;1-20H;1-21H.
What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole?
5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 2015.33 g/mol, XLogP of 33.77, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 157138343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).