ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene

C35H30N4O — CID 144724857

IUPACethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene
SMILESCC.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5noc6c5-c5ccnn5CCC6)c4)ccc32)cc1
InChIInChI=1S/C33H24N4O.C2H6/c1-2-10-25(11-3-1)37-28-13-5-4-12-26(28)27-21-23(15-16-29(27)37)22-8-6-9-24(20-22)33-32-30-17-18-34-36(30)19-7-14-31(32)38-35-33;1-2/h1-6,8-13,15-18,20-21H,7,14,19H2;1-2H3
InChIKeyMBVXYHDCUVLSQI-UHFFFAOYSA-N
MW522.65 g/mol
LogP8.94
Rot. Bonds3

About ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene

ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene (PubChem CID 144724857) has the molecular formula C35H30N4O and a molecular weight of 522.65 g/mol. Its IUPAC name is ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene.

Molecular Properties

Compound Nameethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene
PubChem CID144724857
Molecular FormulaC35H30N4O
Molecular Weight522.65 g/mol
Exact Mass522.24
IUPAC Nameethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene
SMILESCC.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5noc6c5-c5ccnn5CCC6)c4)ccc32)cc1
InChIInChI=1S/C33H24N4O.C2H6/c1-2-10-25(11-3-1)37-28-13-5-4-12-26(28)27-21-23(15-16-29(27)37)22-8-6-9-24(20-22)33-32-30-17-18-34-36(30)19-7-14-31(32)38-35-33;1-2/h1-6,8-13,15-18,20-21H,7,14,19H2;1-2H3
InChIKeyMBVXYHDCUVLSQI-UHFFFAOYSA-N
XLogP8.94
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene 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

5-(1-methylpyrazol-4-yl)-3-[(1R)-1-quinolin-6-ylethyl]-[1,2]oxazolo[5,4-b]pyridine
CID 57691144
3-[Difluoro(quinolin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine
CID 57691324
4-[1-[(1-Fluorocyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 90448951
4-[1-(2-Fluoro-1-phenyl-ethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628221
4-[1-[(2,6-Difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628245
4-[1-[(2-Fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628407
4-[3-(1-Benzylpyrazol-4-yl)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059564
4-[1-Benzyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059806
4-[1,2-Dimethyl-4-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134806482
3,5-Dimethyl-4-[1-methyl-4-(1-methylpyrazol-4-yl)-2-phenylpyrrolo[3,2-c]pyridin-6-yl]-1,2-oxazole
CID 134807925
4-[3-(1-Allylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b] pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628238
3,5-Dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[1-(2-pyridyl)ethyl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 117628249

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene?
The IUPAC name of ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene (CID 144724857) is ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene.
What is the SMILES notation for ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene?
The canonical SMILES for ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene is CC.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5noc6c5-c5ccnn5CCC6)c4)ccc32)cc1.
What is the InChIKey of ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene?
The InChIKey is MBVXYHDCUVLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O.C2H6/c1-2-10-25(11-3-1)37-28-13-5-4-12-26(28)27-21-23(15-16-29(27)37)22-8-6-9-24(20-22)33-32-30-17-18-34-36(30)19-7-14-31(32)38-35-33;1-2/h1-6,8-13,15-18,20-21H,7,14,19H2;1-2H3.
What are the key properties of ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene?
ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene has a molecular weight of 522.65 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(9-phenylcarbazol-3-yl)phenyl]-5-oxa-4,10,11-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,11-tetraene is sourced from PubChem (CID 144724857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).