8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole

C174H107N19OS — CID 157164069

IUPAC8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)n5)cc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7c6)n5)cc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7c6)n5)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-16-40(17-5-1)53-39-60(66-62(65-53)41-18-6-2-7-19-41)69-55-27-13-10-22-46(55)48-32-29-43(37-59(48)69)52-25-14-24-51(64-52)42-30-33-56-49(36-42)47-23-11-12-26-54(47)68(56)45-31-34-57-50(38-45)61-58(28-15-35-63-61)67(57)44-20-8-3-9-21-44;2*1-3-13-35(14-4-1)47-34-54(60-56(59-47)36-15-5-2-6-16-36)62-49-22-10-7-17-40(49)42-27-24-38(32-51(42)62)46-20-11-19-45(58-46)37-25-28-50-43(31-37)41-18-8-9-21-48(41)61(50)39-26-29-52-44(33-39)55-53(63-52)23-12-30-57-55/h1-39H;2*1-34H
InChIKeyAMRZHWIKUFDLKN-UHFFFAOYSA-N
MW2511.97 g/mol
LogP43.75
Rot. Bonds19

About 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole

8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 157164069) has the molecular formula C174H107N19OS and a molecular weight of 2511.97 g/mol. Its IUPAC name is 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
PubChem CID157164069
Molecular FormulaC174H107N19OS
Molecular Weight2511.97 g/mol
Exact Mass2509.86
IUPAC Name8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)n5)cc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7c6)n5)cc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7c6)n5)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-16-40(17-5-1)53-39-60(66-62(65-53)41-18-6-2-7-19-41)69-55-27-13-10-22-46(55)48-32-29-43(37-59(48)69)52-25-14-24-51(64-52)42-30-33-56-49(36-42)47-23-11-12-26-54(47)68(56)45-31-34-57-50(38-45)61-58(28-15-35-63-61)67(57)44-20-8-3-9-21-44;2*1-3-13-35(14-4-1)47-34-54(60-56(59-47)36-15-5-2-6-16-36)62-49-22-10-7-17-40(49)42-27-24-38(32-51(42)62)46-20-11-19-45(58-46)37-25-28-50-43(31-37)41-18-8-9-21-48(41)61(50)39-26-29-52-44(33-39)55-53(63-52)23-12-30-57-55/h1-39H;2*1-34H
InChIKeyAMRZHWIKUFDLKN-UHFFFAOYSA-N
XLogP43.75
TPSA202.33 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.97
LogP ≤ 543.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole with MolForge

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Related Compounds

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
CID 157743742
CID 157743742
CID 158466648
CID 158466648
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160533362
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160542497
2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160830901
CID 161814794
CID 161814794
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
10-[9-[8-[3,6-Bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 58099588
6-[9-[8-[3,6-Bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099626

Frequently Asked Questions

What is the IUPAC name of 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole (CID 157164069) is 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)n5)cc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7c6)n5)cc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7c6)n5)cc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is AMRZHWIKUFDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7.C56H34N6O.C56H34N6S/c1-4-16-40(17-5-1)53-39-60(66-62(65-53)41-18-6-2-7-19-41)69-55-27-13-10-22-46(55)48-32-29-43(37-59(48)69)52-25-14-24-51(64-52)42-30-33-56-49(36-42)47-23-11-12-26-54(47)68(56)45-31-34-57-50(38-45)61-58(28-15-35-63-61)67(57)44-20-8-3-9-21-44;2*1-3-13-35(14-4-1)47-34-54(60-56(59-47)36-15-5-2-6-16-36)62-49-22-10-7-17-40(49)42-27-24-38(32-51(42)62)46-20-11-19-45(58-46)37-25-28-50-43(31-37)41-18-8-9-21-48(41)61(50)39-26-29-52-44(33-39)55-53(63-52)23-12-30-57-55/h1-39H;2*1-34H.
What are the key properties of 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole has a molecular weight of 2511.97 g/mol, XLogP of 43.75, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]-2-pyridinyl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 157164069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).