8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C55H35N7O — CID 118245956

IUPAC8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=CC2C(C=N1)c1cc(-n3c4ccc(-c5cncc(-c6ccccc6)c5)nc4c4nc(-c5cncc(-c6ccccc6)c5)ccc43)ccc1N2c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C55H35N7O/c1-3-9-34(10-4-1)36-25-38(31-57-29-36)46-17-20-50-54(59-46)55-51(21-18-47(60-55)39-26-37(30-58-32-39)35-11-5-2-6-12-35)62(50)40-15-19-48-43(27-40)45-33-56-24-23-49(45)61(48)41-16-22-53-44(28-41)42-13-7-8-14-52(42)63-53/h1-33,45,49H
InChIKeyYIDVVUQPCGQWGU-UHFFFAOYSA-N
MW809.93 g/mol
LogP13.13
Rot. Bonds6

About 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 118245956) has the molecular formula C55H35N7O and a molecular weight of 809.93 g/mol. Its IUPAC name is 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID118245956
Molecular FormulaC55H35N7O
Molecular Weight809.93 g/mol
Exact Mass809.29
IUPAC Name8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=CC2C(C=N1)c1cc(-n3c4ccc(-c5cncc(-c6ccccc6)c5)nc4c4nc(-c5cncc(-c6ccccc6)c5)ccc43)ccc1N2c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C55H35N7O/c1-3-9-34(10-4-1)36-25-38(31-57-29-36)46-17-20-50-54(59-46)55-51(21-18-47(60-55)39-26-37(30-58-32-39)35-11-5-2-6-12-35)62(50)40-15-19-48-43(27-40)45-33-56-24-23-49(45)61(48)41-16-22-53-44(28-41)42-13-7-8-14-52(42)63-53/h1-33,45,49H
InChIKeyYIDVVUQPCGQWGU-UHFFFAOYSA-N
XLogP13.13
TPSA85.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.93
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 118245956) is 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=CC2C(C=N1)c1cc(-n3c4ccc(-c5cncc(-c6ccccc6)c5)nc4c4nc(-c5cncc(-c6ccccc6)c5)ccc43)ccc1N2c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is YIDVVUQPCGQWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N7O/c1-3-9-34(10-4-1)36-25-38(31-57-29-36)46-17-20-50-54(59-46)55-51(21-18-47(60-55)39-26-37(30-58-32-39)35-11-5-2-6-12-35)62(50)40-15-19-48-43(27-40)45-33-56-24-23-49(45)61(48)41-16-22-53-44(28-41)42-13-7-8-14-52(42)63-53/h1-33,45,49H.
What are the key properties of 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 809.93 g/mol, XLogP of 13.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-dibenzofuran-2-yl-4a,9b-dihydropyrido[4,3-b]indol-8-yl)-4,12-bis(5-phenyl-3-pyridinyl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 118245956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).