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

C49H33GeN3 — CID 140849325

IUPAC1-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
SMILESC[Ge]12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccc3c5ccccc5c5ccccc5c3c1)c1cccc(c12)N4c1ccccc1
InChIInChI=1S/C49H33GeN3/c1-50-47-41-23-12-24-42(47)52(33-17-6-3-7-18-33)44-26-14-28-46(49(44)50)53(45-27-13-25-43(48(45)50)51(41)32-15-4-2-5-16-32)34-29-30-39-37-21-9-8-19-35(37)36-20-10-11-22-38(36)40(39)31-34/h2-31H,1H3
InChIKeyILZBFORNKFULKJ-UHFFFAOYSA-N
MW736.43 g/mol
LogP11.60
Rot. Bonds3

About 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

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 (PubChem CID 140849325) has the molecular formula C49H33GeN3 and a molecular weight of 736.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID140849325
Molecular FormulaC49H33GeN3
Molecular Weight736.43 g/mol
Exact Mass737.19
IUPAC Name1-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
SMILESC[Ge]12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccc3c5ccccc5c5ccccc5c3c1)c1cccc(c12)N4c1ccccc1
InChIInChI=1S/C49H33GeN3/c1-50-47-41-23-12-24-42(47)52(33-17-6-3-7-18-33)44-26-14-28-46(49(44)50)53(45-27-13-25-43(48(45)50)51(41)32-15-4-2-5-16-32)34-29-30-39-37-21-9-8-19-35(37)36-20-10-11-22-38(36)40(39)31-34/h2-31H,1H3
InChIKeyILZBFORNKFULKJ-UHFFFAOYSA-N
XLogP11.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.43
LogP ≤ 511.60
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-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 with MolForge

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Related Compounds

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10,14,18-triphenyl-4-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene;10,14,18-triphenyl-4-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene;10,14,18-triphenyl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Ge]12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccc3c5ccccc5c5ccccc5c3c1)c1cccc(c12)N4c1ccccc1.
What is the InChIKey of 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?
The InChIKey is ILZBFORNKFULKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33GeN3/c1-50-47-41-23-12-24-42(47)52(33-17-6-3-7-18-33)44-26-14-28-46(49(44)50)53(45-27-13-25-43(48(45)50)51(41)32-15-4-2-5-16-32)34-29-30-39-37-21-9-8-19-35(37)36-20-10-11-22-38(36)40(39)31-34/h2-31H,1H3.
What are the key properties of 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?
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 has a molecular weight of 736.43 g/mol, XLogP of 11.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140849325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).