8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C50H28N6O2 — CID 58099648

IUPAC8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cc(-n3c4ccncc4c4cnccc43)cc3c2oc2ccccc23)c(-c2cccc3c2oc2ccc(-n4c5ccncc5c5ncccc54)cc23)c1
InChIInChI=1S/C50H28N6O2/c1-2-8-32(37-24-30(25-38-33-9-3-4-13-46(33)57-50(37)38)56-42-16-20-51-26-39(42)40-27-52-21-17-43(40)56)31(7-1)34-10-5-11-35-36-23-29(14-15-47(36)58-49(34)35)55-44-18-22-53-28-41(44)48-45(55)12-6-19-54-48/h1-28H
InChIKeyDIFRAXMCISUDOG-UHFFFAOYSA-N
MW744.81 g/mol
LogP12.59
Rot. Bonds4

About 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58099648) has the molecular formula C50H28N6O2 and a molecular weight of 744.81 g/mol. Its IUPAC name is 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58099648
Molecular FormulaC50H28N6O2
Molecular Weight744.81 g/mol
Exact Mass744.23
IUPAC Name8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cc(-n3c4ccncc4c4cnccc43)cc3c2oc2ccccc23)c(-c2cccc3c2oc2ccc(-n4c5ccncc5c5ncccc54)cc23)c1
InChIInChI=1S/C50H28N6O2/c1-2-8-32(37-24-30(25-38-33-9-3-4-13-46(33)57-50(37)38)56-42-16-20-51-26-39(42)40-27-52-21-17-43(40)56)31(7-1)34-10-5-11-35-36-23-29(14-15-47(36)58-49(34)35)55-44-18-22-53-28-41(44)48-45(55)12-6-19-54-48/h1-28H
InChIKeyDIFRAXMCISUDOG-UHFFFAOYSA-N
XLogP12.59
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.81
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

22'-Methyl-12-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 123794045
14-[[4-[1-[2-[2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]dibenzofuran-3-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123796450
N,N-bis[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)phenyl]-2,4-dimethylpyridin-3-amine
CID 137538140
N-[4-(5-dibenzofuran-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine
CID 138607861
14-[(2R)-2-[(1R)-2-methyl-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3,5-bis[3-(trifluoromethyl)phenyl]cyclopenta-2,4-dien-1-yl]propyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139553715
2-[(Z)-2-fluoroethenyl]-1-phenyl-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]indol-3-amine
CID 144491267
19-[(Z)-2-fluoroethenyl]-9-(3-phenylcyclohexa-1,5-dien-1-yl)-18-(3-pyridin-2-ylphenyl)-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine
CID 144604492
8-[5-(8-Fluorodibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144612616
5-(2-Fluorodibenzofuran-4-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole
CID 144612618
5-Dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole
CID 144612634
6-Fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
CID 144612650
9-[8-[9-(5-Carbazol-9-yl-3-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]-1,2,3,4-tetrafluorocarbazole
CID 145703005

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58099648) is 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2cc(-n3c4ccncc4c4cnccc43)cc3c2oc2ccccc23)c(-c2cccc3c2oc2ccc(-n4c5ccncc5c5ncccc54)cc23)c1.
What is the InChIKey of 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is DIFRAXMCISUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6O2/c1-2-8-32(37-24-30(25-38-33-9-3-4-13-46(33)57-50(37)38)56-42-16-20-51-26-39(42)40-27-52-21-17-43(40)56)31(7-1)34-10-5-11-35-36-23-29(14-15-47(36)58-49(34)35)55-44-18-22-53-28-41(44)48-45(55)12-6-19-54-48/h1-28H.
What are the key properties of 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 744.81 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-[8-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58099648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).