11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole

C41H26N4 — CID 123175819

IUPAC11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)C3n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C41H26N4/c1-4-14-26(15-5-1)36-35-37(43-41(42-36)27-16-6-2-7-17-27)40(35)45-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)44(38(31)39(32)45)28-18-8-3-9-19-28/h1-25,40H
InChIKeyDBAJPRRZIVUOQV-UHFFFAOYSA-N
MW574.69 g/mol
LogP9.97
Rot. Bonds4

About 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole

11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole (PubChem CID 123175819) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole
PubChem CID123175819
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)C3n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C41H26N4/c1-4-14-26(15-5-1)36-35-37(43-41(42-36)27-16-6-2-7-17-27)40(35)45-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)44(38(31)39(32)45)28-18-8-3-9-19-28/h1-25,40H
InChIKeyDBAJPRRZIVUOQV-UHFFFAOYSA-N
XLogP9.97
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole?
The IUPAC name of 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole (CID 123175819) is 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)c3c(n2)C3n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole?
The InChIKey is DBAJPRRZIVUOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-4-14-26(15-5-1)36-35-37(43-41(42-36)27-16-6-2-7-17-27)40(35)45-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)44(38(31)39(32)45)28-18-8-3-9-19-28/h1-25,40H.
What are the key properties of 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole?
11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole has a molecular weight of 574.69 g/mol, XLogP of 9.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 123175819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).