2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole

C31H24N2 — CID 138736833

IUPAC2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
SMILESC=Cc1c(/C=C\C)c2ccc3c4ccccc4n(-c4ccccc4)c3c2n1-c1ccccc1
InChIInChI=1S/C31H24N2/c1-3-13-24-26-20-21-27-25-18-11-12-19-29(25)33(23-16-9-6-10-17-23)31(27)30(26)32(28(24)4-2)22-14-7-5-8-15-22/h3-21H,2H2,1H3/b13-3-
InChIKeyICVYDPNFPXXAHO-DXNYSGJVSA-N
MW424.55 g/mol
LogP8.40
Rot. Bonds4

About 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole

2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole (PubChem CID 138736833) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
PubChem CID138736833
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
SMILESC=Cc1c(/C=C\C)c2ccc3c4ccccc4n(-c4ccccc4)c3c2n1-c1ccccc1
InChIInChI=1S/C31H24N2/c1-3-13-24-26-20-21-27-25-18-11-12-19-29(25)33(23-16-9-6-10-17-23)31(27)30(26)32(28(24)4-2)22-14-7-5-8-15-22/h3-21H,2H2,1H3/b13-3-
InChIKeyICVYDPNFPXXAHO-DXNYSGJVSA-N
XLogP8.40
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole (CID 138736833) is 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole is C=Cc1c(/C=C\C)c2ccc3c4ccccc4n(-c4ccccc4)c3c2n1-c1ccccc1.
What is the InChIKey of 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?
The InChIKey is ICVYDPNFPXXAHO-DXNYSGJVSA-N. The full InChI is InChI=1S/C31H24N2/c1-3-13-24-26-20-21-27-25-18-11-12-19-29(25)33(23-16-9-6-10-17-23)31(27)30(26)32(28(24)4-2)22-14-7-5-8-15-22/h3-21H,2H2,1H3/b13-3-.
What are the key properties of 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole has a molecular weight of 424.55 g/mol, XLogP of 8.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 138736833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).