6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine

C50H28N6O2 — CID 58099858

IUPAC6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine
SMILESc1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc3c2oc2ccncc23)cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccncc54)cccc23)c1
InChIInChI=1S/C50H28N6O2/c1-2-12-42-33(8-1)34-14-18-54-28-46(34)56(42)43-13-5-11-38-37-10-4-9-32(48(37)58-50(38)43)29-6-3-7-30(22-29)39-23-31(24-40-41-25-51-21-17-47(41)57-49(39)40)55-44-26-52-19-15-35(44)36-16-20-53-27-45(36)55/h1-28H
InChIKeyHGHZHGKWLMPVDH-UHFFFAOYSA-N
MW744.81 g/mol
LogP12.59
Rot. Bonds4

About 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine

6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 58099858) has the molecular formula C50H28N6O2 and a molecular weight of 744.81 g/mol. Its IUPAC name is 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine
PubChem CID58099858
Molecular FormulaC50H28N6O2
Molecular Weight744.81 g/mol
Exact Mass744.23
IUPAC Name6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine
SMILESc1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc3c2oc2ccncc23)cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccncc54)cccc23)c1
InChIInChI=1S/C50H28N6O2/c1-2-12-42-33(8-1)34-14-18-54-28-46(34)56(42)43-13-5-11-38-37-10-4-9-32(48(37)58-50(38)43)29-6-3-7-30(22-29)39-23-31(24-40-41-25-51-21-17-47(41)57-49(39)40)55-44-26-52-19-15-35(44)36-16-20-53-27-45(36)55/h1-28H
InChIKeyHGHZHGKWLMPVDH-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 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

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8-[6-[6-(2,4,6-Trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-4-[4-[8-[6-[6-(2,4,6-trifluorophenyl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 139573900
4-[3,5-Bis[8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,3,4,5,6-pentafluorophenyl)-[1]benzofuro[3,2-b]pyridine
CID 142336399
8-[5-(3,4,5-Trifluorophenyl)-2-pyridinyl]-4-[4-[8-[5-(3,4,5-trifluorophenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
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4-[3,5-Bis[8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-[3,5-bis(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336440
4-[3,5-Bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
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4-[3,5-Bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
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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
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CID 144612618

Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine (CID 58099858) is 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine is c1cc(-c2cc(-n3c4cnccc4c4ccncc43)cc3c2oc2ccncc23)cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccncc54)cccc23)c1.
What is the InChIKey of 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is HGHZHGKWLMPVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6O2/c1-2-12-42-33(8-1)34-14-18-54-28-46(34)56(42)43-13-5-11-38-37-10-4-9-32(48(37)58-50(38)43)29-6-3-7-30(22-29)39-23-31(24-40-41-25-51-21-17-47(41)57-49(39)40)55-44-26-52-19-15-35(44)36-16-20-53-27-45(36)55/h1-28H.
What are the key properties of 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine?
6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine 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 6-[3-(6-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 58099858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).