(Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine

C43H27N7O — CID 144612620

About (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine

(Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine (PubChem CID 144612620) has the molecular formula C43H27N7O and a molecular weight of 657.74 g/mol. Its IUPAC name is (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine.

Molecular Properties

• Compound Name: (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine
• PubChem CID: 144612620
• Molecular Formula: C43H27N7O
• Molecular Weight: 657.74 g/mol
• Exact Mass: 657.23
• IUPAC Name: (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine
• SMILES: N/C=C\c1cc2cnccc2n1-c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ncccc54)cc3c2c1
• InChI: InChI=1S/C43H27N7O/c44-17-15-30-21-26-25-45-20-16-35(26)48(30)27-9-12-37-34(24-27)43-39(8-4-19-47-43)50(37)29-11-14-41-33(23-29)32-22-28(10-13-40(32)51-41)49-36-6-2-1-5-31(36)42-38(49)7-3-18-46-42/h1-25H,44H2/b17-15-
• InChIKey: VSBGZYCQIACZLZ-ICFOKQHNSA-N
• XLogP: 9.84
• TPSA: 92.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.74
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine?

The IUPAC name of (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine (CID 144612620) is (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine.

What is the SMILES notation for (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine?

The canonical SMILES for (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine is N/C=C\c1cc2cnccc2n1-c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ncccc54)cc3c2c1.

What is the InChIKey of (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine?

The InChIKey is VSBGZYCQIACZLZ-ICFOKQHNSA-N. The full InChI is InChI=1S/C43H27N7O/c44-17-15-30-21-26-25-45-20-16-35(26)48(30)27-9-12-37-34(24-27)43-39(8-4-19-47-43)50(37)29-11-14-41-33(23-29)32-22-28(10-13-40(32)51-41)49-36-6-2-1-5-31(36)42-38(49)7-3-18-46-42/h1-25H,44H2/b17-15-.

What are the key properties of (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine?

(Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine has a molecular weight of 657.74 g/mol, XLogP of 9.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine is sourced from PubChem (CID 144612620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).