18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

C29H19NO — CID 145261486

IUPAC18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
SMILESCc1ccc2c(c1)c1cc3ccc4oc5ccccc5c4c3cc1n2-c1ccccc1
InChIInChI=1S/C29H19NO/c1-18-11-13-25-23(15-18)24-16-19-12-14-28-29(21-9-5-6-10-27(21)31-28)22(19)17-26(24)30(25)20-7-3-2-4-8-20/h2-17H,1H3
InChIKeyITDDQHUELLSZKM-UHFFFAOYSA-N
MW397.48 g/mol
LogP8.14
Rot. Bonds1

About 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (PubChem CID 145261486) has the molecular formula C29H19NO and a molecular weight of 397.48 g/mol. Its IUPAC name is 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.

Molecular Properties

Compound Name18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
PubChem CID145261486
Molecular FormulaC29H19NO
Molecular Weight397.48 g/mol
Exact Mass397.15
IUPAC Name18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
SMILESCc1ccc2c(c1)c1cc3ccc4oc5ccccc5c4c3cc1n2-c1ccccc1
InChIInChI=1S/C29H19NO/c1-18-11-13-25-23(15-18)24-16-19-12-14-28-29(21-9-5-6-10-27(21)31-28)22(19)17-26(24)30(25)20-7-3-2-4-8-20/h2-17H,1H3
InChIKeyITDDQHUELLSZKM-UHFFFAOYSA-N
XLogP8.14
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene 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

22-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621754
2-methyl-6-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazole
CID 145358192
5,18-dimethyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 146214385
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
N-dibenzothiophen-3-yl-N,22-diphenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-amine
CID 140918097
3-dibenzofuran-1-yl-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465438
16-[4-(3,5-diphenylphenyl)phenyl]-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122465837
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 144930867
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 163433244
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137

Frequently Asked Questions

What is the IUPAC name of 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The IUPAC name of 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (CID 145261486) is 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.
What is the SMILES notation for 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The canonical SMILES for 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is Cc1ccc2c(c1)c1cc3ccc4oc5ccccc5c4c3cc1n2-c1ccccc1.
What is the InChIKey of 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The InChIKey is ITDDQHUELLSZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NO/c1-18-11-13-25-23(15-18)24-16-19-12-14-28-29(21-9-5-6-10-27(21)31-28)22(19)17-26(24)30(25)20-7-3-2-4-8-20/h2-17H,1H3.
What are the key properties of 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene has a molecular weight of 397.48 g/mol, XLogP of 8.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 145261486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).