2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole

C67H48N8O2 — CID 123430913

IUPAC2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2cccc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(-c7ccc[nH]7)c6)c6oc7c(-c8cccc(-c9ncco9)c8)cc(-n8c9cnccc9c9ccncc98)cc7c6c5)ccc43)c2)n(C(C)C)c1C
InChIInChI=1S/C67H48N8O2/c1-39(2)73-41(4)40(3)72-66(73)46-14-9-16-49(31-46)74-60-19-6-5-17-51(60)56-32-42(20-21-61(56)74)48-33-54(43-11-7-13-45(29-43)59-18-10-24-70-59)64-57(34-48)58-36-50(75-62-37-68-25-22-52(62)53-23-26-69-38-63(53)75)35-55(65(58)77-64)44-12-8-15-47(30-44)67-71-27-28-76-67/h5-39,70H,1-4H3
InChIKeyKTPZQPUVPPNUND-UHFFFAOYSA-N
MW997.18 g/mol
LogP17.28
Rot. Bonds9

About 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole

2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole (PubChem CID 123430913) has the molecular formula C67H48N8O2 and a molecular weight of 997.18 g/mol. Its IUPAC name is 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole
PubChem CID123430913
Molecular FormulaC67H48N8O2
Molecular Weight997.18 g/mol
Exact Mass996.39
IUPAC Name2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole
SMILESCc1nc(-c2cccc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(-c7ccc[nH]7)c6)c6oc7c(-c8cccc(-c9ncco9)c8)cc(-n8c9cnccc9c9ccncc98)cc7c6c5)ccc43)c2)n(C(C)C)c1C
InChIInChI=1S/C67H48N8O2/c1-39(2)73-41(4)40(3)72-66(73)46-14-9-16-49(31-46)74-60-19-6-5-17-51(60)56-32-42(20-21-61(56)74)48-33-54(43-11-7-13-45(29-43)59-18-10-24-70-59)64-57(34-48)58-36-50(75-62-37-68-25-22-52(62)53-23-26-69-38-63(53)75)35-55(65(58)77-64)44-12-8-15-47(30-44)67-71-27-28-76-67/h5-39,70H,1-4H3
InChIKeyKTPZQPUVPPNUND-UHFFFAOYSA-N
XLogP17.28
TPSA108.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.18
LogP ≤ 517.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole with MolForge

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Related Compounds

9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole
CID 67818598
3-(3-carbazol-9-ylphenyl)-9-[3-[3-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]phenyl]phenyl]carbazole
CID 138718138
3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 138718163
9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
CID 58038552
5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 134544928
9-[3-[4,6-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
CID 139554443
9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole
CID 168837481
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole (CID 123430913) is 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole is Cc1nc(-c2cccc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(-c7ccc[nH]7)c6)c6oc7c(-c8cccc(-c9ncco9)c8)cc(-n8c9cnccc9c9ccncc98)cc7c6c5)ccc43)c2)n(C(C)C)c1C.
What is the InChIKey of 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole?
The InChIKey is KTPZQPUVPPNUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N8O2/c1-39(2)73-41(4)40(3)72-66(73)46-14-9-16-49(31-46)74-60-19-6-5-17-51(60)56-32-42(20-21-61(56)74)48-33-54(43-11-7-13-45(29-43)59-18-10-24-70-59)64-57(34-48)58-36-50(75-62-37-68-25-22-52(62)53-23-26-69-38-63(53)75)35-55(65(58)77-64)44-12-8-15-47(30-44)67-71-27-28-76-67/h5-39,70H,1-4H3.
What are the key properties of 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole?
2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole has a molecular weight of 997.18 g/mol, XLogP of 17.28, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 123430913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).