1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine

C41H27ClN2 — CID 132595490

IUPAC1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine
SMILESClc1ccc(-n2ccc3cccnc32)c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C41H27ClN2/c42-33-23-24-34(44-27-25-32-22-13-26-43-41(32)44)40-38(31-20-11-4-12-21-31)36(29-16-7-2-8-17-29)35(28-14-5-1-6-15-28)37(39(33)40)30-18-9-3-10-19-30/h1-27H
InChIKeySBESPSDGEQDIEM-UHFFFAOYSA-N
MW583.13 g/mol
LogP11.50
Rot. Bonds5

About 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine

1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine (PubChem CID 132595490) has the molecular formula C41H27ClN2 and a molecular weight of 583.13 g/mol. Its IUPAC name is 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine
PubChem CID132595490
Molecular FormulaC41H27ClN2
Molecular Weight583.13 g/mol
Exact Mass582.19
IUPAC Name1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine
SMILESClc1ccc(-n2ccc3cccnc32)c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C41H27ClN2/c42-33-23-24-34(44-27-25-32-22-13-26-43-41(32)44)40-38(31-20-11-4-12-21-31)36(29-16-7-2-8-17-29)35(28-14-5-1-6-15-28)37(39(33)40)30-18-9-3-10-19-30/h1-27H
InChIKeySBESPSDGEQDIEM-UHFFFAOYSA-N
XLogP11.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.13
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine (CID 132595490) is 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine is Clc1ccc(-n2ccc3cccnc32)c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is SBESPSDGEQDIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27ClN2/c42-33-23-24-34(44-27-25-32-22-13-26-43-41(32)44)40-38(31-20-11-4-12-21-31)36(29-16-7-2-8-17-29)35(28-14-5-1-6-15-28)37(39(33)40)30-18-9-3-10-19-30/h1-27H.
What are the key properties of 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine?
1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 583.13 g/mol, XLogP of 11.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5,6,7,8-tetraphenylnaphthalen-1-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 132595490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).