6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole

C60H33N9O3 — CID 135131021

IUPAC6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
SMILESc1cnc(-c2c(-n3c4ccccc4c4c5ccccc5oc43)c(-c3ncccn3)c(-n3c4ccccc4c4c5ccccc5oc43)c(-c3ncccn3)c2-n2c3ccccc3c3c4ccccc4oc32)nc1
InChIInChI=1S/C60H33N9O3/c1-7-22-40-34(16-1)46-37-19-4-10-25-43(37)70-58(46)67(40)52-49(55-61-28-13-29-62-55)53(68-41-23-8-2-17-35(41)47-38-20-5-11-26-44(38)71-59(47)68)51(57-65-32-15-33-66-57)54(50(52)56-63-30-14-31-64-56)69-42-24-9-3-18-36(42)48-39-21-6-12-27-45(39)72-60(48)69/h1-33H
InChIKeyUINQNDQIBWWVFT-UHFFFAOYSA-N
MW927.98 g/mol
LogP14.59
Rot. Bonds6

About 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole

6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole (PubChem CID 135131021) has the molecular formula C60H33N9O3 and a molecular weight of 927.98 g/mol. Its IUPAC name is 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
PubChem CID135131021
Molecular FormulaC60H33N9O3
Molecular Weight927.98 g/mol
Exact Mass927.27
IUPAC Name6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
SMILESc1cnc(-c2c(-n3c4ccccc4c4c5ccccc5oc43)c(-c3ncccn3)c(-n3c4ccccc4c4c5ccccc5oc43)c(-c3ncccn3)c2-n2c3ccccc3c3c4ccccc4oc32)nc1
InChIInChI=1S/C60H33N9O3/c1-7-22-40-34(16-1)46-37-19-4-10-25-43(37)70-58(46)67(40)52-49(55-61-28-13-29-62-55)53(68-41-23-8-2-17-35(41)47-38-20-5-11-26-44(38)71-59(47)68)51(57-65-32-15-33-66-57)54(50(52)56-63-30-14-31-64-56)69-42-24-9-3-18-36(42)48-39-21-6-12-27-45(39)72-60(48)69/h1-33H
InChIKeyUINQNDQIBWWVFT-UHFFFAOYSA-N
XLogP14.59
TPSA131.55 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.98
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole 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 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole?
The IUPAC name of 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole (CID 135131021) is 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole is c1cnc(-c2c(-n3c4ccccc4c4c5ccccc5oc43)c(-c3ncccn3)c(-n3c4ccccc4c4c5ccccc5oc43)c(-c3ncccn3)c2-n2c3ccccc3c3c4ccccc4oc32)nc1.
What is the InChIKey of 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole?
The InChIKey is UINQNDQIBWWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33N9O3/c1-7-22-40-34(16-1)46-37-19-4-10-25-43(37)70-58(46)67(40)52-49(55-61-28-13-29-62-55)53(68-41-23-8-2-17-35(41)47-38-20-5-11-26-44(38)71-59(47)68)51(57-65-32-15-33-66-57)54(50(52)56-63-30-14-31-64-56)69-42-24-9-3-18-36(42)48-39-21-6-12-27-45(39)72-60(48)69/h1-33H.
What are the key properties of 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole?
6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole has a molecular weight of 927.98 g/mol, XLogP of 14.59, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 135131021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).