(Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine

C37H28N4 — CID 144549180

IUPAC(Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine
SMILESN/C(=C\N1C=CC=CC1)c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C37H28N4/c38-32(25-39-22-9-2-10-23-39)26-12-11-15-28(24-26)40-34-19-8-6-17-31(34)36-35(40)21-20-30-29-16-5-7-18-33(29)41(37(30)36)27-13-3-1-4-14-27/h1-22,24-25H,23,38H2/b32-25-
InChIKeyQTGKKWMEFMILSP-MKCFTUBBSA-N
MW528.66 g/mol
LogP8.52
Rot. Bonds4

About (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine

(Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine (PubChem CID 144549180) has the molecular formula C37H28N4 and a molecular weight of 528.66 g/mol. Its IUPAC name is (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine.

Molecular Properties

Compound Name(Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine
PubChem CID144549180
Molecular FormulaC37H28N4
Molecular Weight528.66 g/mol
Exact Mass528.23
IUPAC Name(Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine
SMILESN/C(=C\N1C=CC=CC1)c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C37H28N4/c38-32(25-39-22-9-2-10-23-39)26-12-11-15-28(24-26)40-34-19-8-6-17-31(34)36-35(40)21-20-30-29-16-5-7-18-33(29)41(37(30)36)27-13-3-1-4-14-27/h1-22,24-25H,23,38H2/b32-25-
InChIKeyQTGKKWMEFMILSP-MKCFTUBBSA-N
XLogP8.52
TPSA39.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine?
The IUPAC name of (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine (CID 144549180) is (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine.
What is the SMILES notation for (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine?
The canonical SMILES for (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine is N/C(=C\N1C=CC=CC1)c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine?
The InChIKey is QTGKKWMEFMILSP-MKCFTUBBSA-N. The full InChI is InChI=1S/C37H28N4/c38-32(25-39-22-9-2-10-23-39)26-12-11-15-28(24-26)40-34-19-8-6-17-31(34)36-35(40)21-20-30-29-16-5-7-18-33(29)41(37(30)36)27-13-3-1-4-14-27/h1-22,24-25H,23,38H2/b32-25-.
What are the key properties of (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine?
(Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine has a molecular weight of 528.66 g/mol, XLogP of 8.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(2H-pyridin-1-yl)ethenamine is sourced from PubChem (CID 144549180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).