2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen

C25H24N2 — CID 156643246

IUPAC2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen
SMILESC=Cc1c(/C=C\C)c2c(n1-c1ccccc1)-c1[nH]c3ccccc3c1CC2.[H][H]
InChIInChI=1S/C25H22N2.H2/c1-3-10-19-21-16-15-20-18-13-8-9-14-22(18)26-24(20)25(21)27(23(19)4-2)17-11-6-5-7-12-17;/h3-14,26H,2,15-16H2,1H3;1H/b10-3-;
InChIKeyOSYSWGICUXVOHD-HVHUWTQGSA-N
MW352.48 g/mol
LogP6.65
Rot. Bonds3

About 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen

2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen (PubChem CID 156643246) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen.

Molecular Properties

Compound Name2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen
PubChem CID156643246
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen
SMILESC=Cc1c(/C=C\C)c2c(n1-c1ccccc1)-c1[nH]c3ccccc3c1CC2.[H][H]
InChIInChI=1S/C25H22N2.H2/c1-3-10-19-21-16-15-20-18-13-8-9-14-22(18)26-24(20)25(21)27(23(19)4-2)17-11-6-5-7-12-17;/h3-14,26H,2,15-16H2,1H3;1H/b10-3-;
InChIKeyOSYSWGICUXVOHD-HVHUWTQGSA-N
XLogP6.65
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-9H-pyrrolo[2,3-b]carbazole
CID 145328023
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
(4Z,5E)-2-ethenyl-4,5-di(ethylidene)-1-phenyl-3-prop-1-enylpyrrole
CID 144543415
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole
CID 876853
9-(3,5-dibromophenyl)-3-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]carbazole
CID 145163222
4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
CID 145322278
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen?
The IUPAC name of 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen (CID 156643246) is 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen.
What is the SMILES notation for 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen?
The canonical SMILES for 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen is C=Cc1c(/C=C\C)c2c(n1-c1ccccc1)-c1[nH]c3ccccc3c1CC2.[H][H].
What is the InChIKey of 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen?
The InChIKey is OSYSWGICUXVOHD-HVHUWTQGSA-N. The full InChI is InChI=1S/C25H22N2.H2/c1-3-10-19-21-16-15-20-18-13-8-9-14-22(18)26-24(20)25(21)27(23(19)4-2)17-11-6-5-7-12-17;/h3-14,26H,2,15-16H2,1H3;1H/b10-3-;.
What are the key properties of 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen?
2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen has a molecular weight of 352.48 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen is sourced from PubChem (CID 156643246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).