11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole

C35H29N3 — CID 121343822

IUPAC11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(C4C(c5ccccc5)N4C45C=CC=CC4N5)c3c21
InChIInChI=1S/C35H29N3/c1-34(2)27-16-8-6-14-23(27)25-19-20-26-24-15-7-9-17-28(24)37(32(26)30(25)34)33-31(22-12-4-3-5-13-22)38(33)35-21-11-10-18-29(35)36-35/h3-21,29,31,33,36H,1-2H3
InChIKeyLZVIYZVLGFDNTJ-UHFFFAOYSA-N
MW491.64 g/mol
LogP7.45
Rot. Bonds3

About 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole

11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 121343822) has the molecular formula C35H29N3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID121343822
Molecular FormulaC35H29N3
Molecular Weight491.64 g/mol
Exact Mass491.24
IUPAC Name11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(C4C(c5ccccc5)N4C45C=CC=CC4N5)c3c21
InChIInChI=1S/C35H29N3/c1-34(2)27-16-8-6-14-23(27)25-19-20-26-24-15-7-9-17-28(24)37(32(26)30(25)34)33-31(22-12-4-3-5-13-22)38(33)35-21-11-10-18-29(35)36-35/h3-21,29,31,33,36H,1-2H3
InChIKeyLZVIYZVLGFDNTJ-UHFFFAOYSA-N
XLogP7.45
TPSA29.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 166961471
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 130181306
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 118580626
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
4,5,6-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 146325148
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
15,26,26-trimethyl-4-phenyl-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 145449729
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
2-carbazol-9-yl-5-[2,5-dicyano-4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzene-1,4-dicarbonitrile
CID 129290887

Frequently Asked Questions

What is the IUPAC name of 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole (CID 121343822) is 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(C4C(c5ccccc5)N4C45C=CC=CC4N5)c3c21.
What is the InChIKey of 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is LZVIYZVLGFDNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3/c1-34(2)27-16-8-6-14-23(27)25-19-20-26-24-15-7-9-17-28(24)37(32(26)30(25)34)33-31(22-12-4-3-5-13-22)38(33)35-21-11-10-18-29(35)36-35/h3-21,29,31,33,36H,1-2H3.
What are the key properties of 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole?
11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 491.64 g/mol, XLogP of 7.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-(7-azabicyclo[4.1.0]hepta-2,4-dien-1-yl)-3-phenylaziridin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 121343822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).