5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole

C53H34N4 — CID 118504605

IUPAC5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c5cc(-c6ccccc6)ccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)n5)c4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C53H34N4/c1-4-15-35(16-5-1)37-27-29-48-42(31-37)44-33-45-43-32-38(36-17-6-2-7-18-36)28-30-49(43)57(51(45)34-50(44)55(48)39-19-8-3-9-20-39)53-26-14-25-52(54-53)56-46-23-12-10-21-40(46)41-22-11-13-24-47(41)56/h1-34H
InChIKeyWIWFUDNTJYIFBQ-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.71
Rot. Bonds5

About 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole

5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole (PubChem CID 118504605) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
PubChem CID118504605
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c5cc(-c6ccccc6)ccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)n5)c4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C53H34N4/c1-4-15-35(16-5-1)37-27-29-48-42(31-37)44-33-45-43-32-38(36-17-6-2-7-18-36)28-30-49(43)57(51(45)34-50(44)55(48)39-19-8-3-9-20-39)53-26-14-25-52(54-53)56-46-23-12-10-21-40(46)41-22-11-13-24-47(41)56/h1-34H
InChIKeyWIWFUDNTJYIFBQ-UHFFFAOYSA-N
XLogP13.71
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole (CID 118504605) is 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4c5cc(-c6ccccc6)ccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)n5)c4cc2n3-c2ccccc2)cc1.
What is the InChIKey of 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole?
The InChIKey is WIWFUDNTJYIFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-15-35(16-5-1)37-27-29-48-42(31-37)44-33-45-43-32-38(36-17-6-2-7-18-36)28-30-49(43)57(51(45)34-50(44)55(48)39-19-8-3-9-20-39)53-26-14-25-52(54-53)56-46-23-12-10-21-40(46)41-22-11-13-24-47(41)56/h1-34H.
What are the key properties of 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole?
5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole has a molecular weight of 726.88 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 118504605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).