7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole

C63H34N4O3 — CID 126631105

IUPAC7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c2c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)ccnc2c1
InChIInChI=1S/C63H34N4O3/c1-7-19-49-36(13-1)42-29-45-39-16-4-10-22-57(39)68-60(45)32-53(42)65(49)35-27-48-63(56(28-35)67-51-21-9-3-15-38(51)44-31-47-41-18-6-12-24-59(41)70-62(47)34-55(44)67)52(25-26-64-48)66-50-20-8-2-14-37(50)43-30-46-40-17-5-11-23-58(40)69-61(46)33-54(43)66/h1-34H
InChIKeyIPCNJBJXLLSXPQ-UHFFFAOYSA-N
MW894.99 g/mol
LogP17.22
Rot. Bonds3

About 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole

7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 126631105) has the molecular formula C63H34N4O3 and a molecular weight of 894.99 g/mol. Its IUPAC name is 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID126631105
Molecular FormulaC63H34N4O3
Molecular Weight894.99 g/mol
Exact Mass894.26
IUPAC Name7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c2c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)ccnc2c1
InChIInChI=1S/C63H34N4O3/c1-7-19-49-36(13-1)42-29-45-39-16-4-10-22-57(39)68-60(45)32-53(42)65(49)35-27-48-63(56(28-35)67-51-21-9-3-15-38(51)44-31-47-41-18-6-12-24-59(41)70-62(47)34-55(44)67)52(25-26-64-48)66-50-20-8-2-14-37(50)43-30-46-40-17-5-11-23-58(40)69-61(46)33-54(43)66/h1-34H
InChIKeyIPCNJBJXLLSXPQ-UHFFFAOYSA-N
XLogP17.22
TPSA67.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.99
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole (CID 126631105) is 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c2c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)ccnc2c1.
What is the InChIKey of 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is IPCNJBJXLLSXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H34N4O3/c1-7-19-49-36(13-1)42-29-45-39-16-4-10-22-57(39)68-60(45)32-53(42)65(49)35-27-48-63(56(28-35)67-51-21-9-3-15-38(51)44-31-47-41-18-6-12-24-59(41)70-62(47)34-55(44)67)52(25-26-64-48)66-50-20-8-2-14-37(50)43-30-46-40-17-5-11-23-58(40)69-61(46)33-54(43)66/h1-34H.
What are the key properties of 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole?
7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 894.99 g/mol, XLogP of 17.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,7-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-5-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 126631105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).