1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

C37H23GeNO2 — CID 140849000

IUPAC1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESC[Ge]12c3c4cccc3Oc3cccc(c31)N(c1ccc3c5ccccc5c5ccccc5c3c1)c1cccc(c12)O4
InChIInChI=1S/C37H23GeNO2/c1-38-35-29-13-6-15-31(35)40-33-17-8-18-34(37(33)38)41-32-16-7-14-30(36(32)38)39(29)22-19-20-27-25-11-3-2-9-23(25)24-10-4-5-12-26(24)28(27)21-22/h2-21H,1H3
InChIKeyXXIMHBGQBNROBP-UHFFFAOYSA-N
MW586.21 g/mol
LogP8.24
Rot. Bonds1

About 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 140849000) has the molecular formula C37H23GeNO2 and a molecular weight of 586.21 g/mol. Its IUPAC name is 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID140849000
Molecular FormulaC37H23GeNO2
Molecular Weight586.21 g/mol
Exact Mass587.09
IUPAC Name1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESC[Ge]12c3c4cccc3Oc3cccc(c31)N(c1ccc3c5ccccc5c5ccccc5c3c1)c1cccc(c12)O4
InChIInChI=1S/C37H23GeNO2/c1-38-35-29-13-6-15-31(35)40-33-17-8-18-34(37(33)38)41-32-16-7-14-30(36(32)38)39(29)22-19-20-27-25-11-3-2-9-23(25)24-10-4-5-12-26(24)28(27)21-22/h2-21H,1H3
InChIKeyXXIMHBGQBNROBP-UHFFFAOYSA-N
XLogP8.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.21
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

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Related Compounds

1-methyl-8,14-diphenyl-22-triphenylen-2-yl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140849325
1,2,3,4,6,7,8,9-octadeuterio-10-[7-(1,2,3,4,6,7,8,9-octadeuteriophenoxazin-10-yl)triphenylen-2-yl]phenoxazine
CID 121475658
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine
CID 144799086
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219982
10-triphenylen-2-ylphenothiazine 5,5-dioxide
CID 141391084
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208
7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine
CID 155791009
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene
CID 168843435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 140849000) is 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is C[Ge]12c3c4cccc3Oc3cccc(c31)N(c1ccc3c5ccccc5c5ccccc5c3c1)c1cccc(c12)O4.
What is the InChIKey of 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is XXIMHBGQBNROBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23GeNO2/c1-38-35-29-13-6-15-31(35)40-33-17-8-18-34(37(33)38)41-32-16-7-14-30(36(32)38)39(29)22-19-20-27-25-11-3-2-9-23(25)24-10-4-5-12-26(24)28(27)21-22/h2-21H,1H3.
What are the key properties of 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 586.21 g/mol, XLogP of 8.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 140849000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).