1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole

C33H24N2 — CID 90257533

IUPAC1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole
SMILESc1ccc(Cn2ccc3c(-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C33H24N2/c1-4-12-24(13-5-1)23-34-21-20-28-30(34)22-31-33(32(28)25-14-6-2-7-15-25)27-18-10-11-19-29(27)35(31)26-16-8-3-9-17-26/h1-22H,23H2
InChIKeyWKGXSCZHPRXXGC-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.45
Rot. Bonds4

About 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole

1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole (PubChem CID 90257533) has the molecular formula C33H24N2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole
PubChem CID90257533
Molecular FormulaC33H24N2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole
SMILESc1ccc(Cn2ccc3c(-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C33H24N2/c1-4-12-24(13-5-1)23-34-21-20-28-30(34)22-31-33(32(28)25-14-6-2-7-15-25)27-18-10-11-19-29(27)35(31)26-16-8-3-9-17-26/h1-22H,23H2
InChIKeyWKGXSCZHPRXXGC-UHFFFAOYSA-N
XLogP8.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole?
The IUPAC name of 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole (CID 90257533) is 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole is c1ccc(Cn2ccc3c(-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole?
The InChIKey is WKGXSCZHPRXXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-4-12-24(13-5-1)23-34-21-20-28-30(34)22-31-33(32(28)25-14-6-2-7-15-25)27-18-10-11-19-29(27)35(31)26-16-8-3-9-17-26/h1-22H,23H2.
What are the key properties of 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole?
1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole has a molecular weight of 448.57 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,9-diphenylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 90257533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).