2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

C27H20N4 — CID 634044

IUPAC2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2[nH]c3ncccc3c2Cc2c(-c3ccccc3)[nH]c3ncccc23)cc1
InChIInChI=1S/C27H20N4/c1-3-9-18(10-4-1)24-22(20-13-7-15-28-26(20)30-24)17-23-21-14-8-16-29-27(21)31-25(23)19-11-5-2-6-12-19/h1-16H,17H2,(H,28,30)(H,29,31)
InChIKeyPVUUPZORFJQSFA-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.36
Rot. Bonds4

About 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine

2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 634044) has the molecular formula C27H20N4 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID634044
Molecular FormulaC27H20N4
Molecular Weight400.49 g/mol
Exact Mass400.17
IUPAC Name2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2[nH]c3ncccc3c2Cc2c(-c3ccccc3)[nH]c3ncccc23)cc1
InChIInChI=1S/C27H20N4/c1-3-9-18(10-4-1)24-22(20-13-7-15-28-26(20)30-24)17-23-21-14-8-16-29-27(21)31-25(23)19-11-5-2-6-12-19/h1-16H,17H2,(H,28,30)(H,29,31)
InChIKeyPVUUPZORFJQSFA-UHFFFAOYSA-N
XLogP6.36
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 634044) is 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is c1ccc(-c2[nH]c3ncccc3c2Cc2c(-c3ccccc3)[nH]c3ncccc23)cc1.
What is the InChIKey of 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PVUUPZORFJQSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4/c1-3-9-18(10-4-1)24-22(20-13-7-15-28-26(20)30-24)17-23-21-14-8-16-29-27(21)31-25(23)19-11-5-2-6-12-19/h1-16H,17H2,(H,28,30)(H,29,31).
What are the key properties of 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine?
2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 400.49 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 634044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).